SCHEMBL461531

SCHEMBL461531

CSc1ccc(C(=O)CCC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLK1 P53350 1/20 0.48
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
KMT2A Q03164 1/20 0.44
FLI1 Q01543 1/20 0.43
EWSR1 Q01844 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11686001 0.85 SMN1; SMN2 (0.62) HPGDKDM4ESMN1; SMN2KMT2ACYP1A2
SCHEMBL5717808 0.85 KMT2A (0.63) HAO1HPGDSMN1; SMN2PLK1MMP2
SCHEMBL7575160 0.85 NR4A2 (0.59) HAO1HPGDKDM4ESMN1; SMN2PLK1
SCHEMBL5190530 0.83 HAO1 (0.50) HAO1SMN1; SMN2PLK1MMP2MMP9
SCHEMBL4707187 0.82 HAO1 (0.62) HAO1HPGDKDM4ESMN1; SMN2PLK1
SCHEMBL7196791 0.82 L3MBTL1 (0.55) HAO1PLK1MMP2MMP9MMP8
SCHEMBL6755453 0.82 HSD17B3 (0.62) HAO1HPGDSMN1; SMN2PLK1MMP2
SCHEMBL459999 0.81 ALDH1A1 (0.53) HAO1HPGDSMN1; SMN2PLK1MMP2
SCHEMBL18193726 0.81 HAO1 (0.51) HAO1HPGDPLK1MMP2MMP9
SCHEMBL7862887 0.80 SMN1; SMN2 (0.66) HAO1HPGDSMN1; SMN2PLK1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201611-B2 Composition comprising high purity pyrrole derivative and method for preparation thereof ZYDUS LIFESCIENCES LIMITED (IN) 2025-01-21 US disclosed
US-20220023262-A1 COMPOSITION COMPRISING HIGH PURITY PYRROLE DERIVATIVE AND METHOD FOR PREPARATION THEREOF ZYDUS LIFESCIENCES LIMITED (IN) 2022-01-27 US disclosed
US-20220023262-A1 COMPOSITION COMPRISING HIGH PURITY PYRROLE DERIVATIVE AND METHOD FOR PREPARATION THEREOF ZYDUS LIFESCIENCES LIMITED (IN) 2022-01-27 US disclosed
EP-3004053-B1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2021-03-24 EP disclosed
US-10435363-B2 Process for preparation of pyrroles having hypolipidemic hypocholesteremic activities CADILA HEALTHCARE LIMITED (IN) 2019-10-08 US disclosed
US-20170144968-A1 PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES ZYDUS LIFESCIENCES LIMITED (IN) 2017-05-25 US disclosed
US-20170144968-A1 PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES ZYDUS LIFESCIENCES LIMITED (IN) 2017-05-25 US disclosed
EP-3156398-A1 AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2017-04-19 EP disclosed
US-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2016-07-07 US disclosed
US-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2016-07-07 US disclosed
US-7166618-B2 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-01-23 US disclosed
EP-1246621-A4 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-11-24 EP disclosed
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed
US-20030220228-A1 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NICOX S.A. (FR) 2003-11-27 US disclosed
US-6649629-B2 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) NITROMED, INC. 2003-11-18 US disclosed
EP-0946507-B1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-09-24 EP disclosed
EP-1246621-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2002-10-09 EP disclosed
US-20010041726-A1 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) NICOX S.A. (FR) 2001-11-15 US disclosed
WO-2001045703-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2001-06-28 WO disclosed
US-5935990-A PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC G.D. SEARLE & CO. (US) 1999-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES HPD, HMGCR, CYP51A1 HAO1 799/4885HPGD 654/4885KDM4E 373/4885
US-20170144968-A1 PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CYP51A1, LIPA, DHCR7 HAO1 1312/4885HPGD 356/4885KDM4E 560/4885
US-20030220228-A1 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use PTGS2, PTGS1, PTGES2 HAO1 122/4885HPGD 14/4885KDM4E 2379/4885
US-12201611-B2 Composition comprising high purity pyrrole derivative and method for preparation thereof DHPS, OGFOD1, OGDH HAO1 505/4885HPGD 61/4885KDM4E 176/4885
US-10435363-B2 Process for preparation of pyrroles having hypolipidemic hypocholesteremic activities CYP51A1, LIPA, DHCR7 HAO1 1312/4885HPGD 356/4885KDM4E 560/4885
US-20010041726-A1 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) PTGS1, PTGS2, PTGES HAO1 147/4885HPGD 14/4885KDM4E 1418/4885
US-20220023262-A1 COMPOSITION COMPRISING HIGH PURITY PYRROLE DERIVATIVE AND METHOD FOR PREPARATION THEREOF DHPS, OGFOD1, OGDH HAO1 505/4885HPGD 61/4885KDM4E 176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.