SCHEMBL3563505

SCHEMBL3563505

NC(=O)CC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
EPHX1 P07099 1/20 0.39
CYP2C19 P33261 1/20 0.38
PKM P14618 2/20 0.38
ALPI P09923 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PLAU P00749 1/20 0.37
PLAUR Q03405 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CPA1 P15085 2/20 0.36
GAA P10253 1/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL1430902 0.89 MIF (0.56) MIFPKMALPIPTGS1XIAP
SCHEMBL5073587 0.86 MIF (0.39) MIFEPHX1PKMALPIPTGS1
SCHEMBL15547346 0.86 MTNR1A (0.43) MIFCYP2C19PKMALPIPTGS1
SCHEMBL2466830 0.83 EPHX1 (0.55) MIFEPHX1PKMALPIPTGS1
SCHEMBL5884516 0.83 MTNR1A (0.41) MIFCYP2C19PKMMTNR1AMTNR1B
SCHEMBL938718 0.81 EPHX1 (0.37) MIFEPHX1PKMALPIPTGS1
SCHEMBL3748652 0.81 TRPA1 (0.40) MIFEPHX1PKMALPIPTGS1
SCHEMBL3561899 0.81 L3MBTL1 (0.41) MIFMTNR1AMTNR1BSMN1; SMN2
SCHEMBL1011206 0.80 MTNR1A (0.60) MIFCYP2C19PKMALPIPTGS1
Hydrochloric Acid SCHEMBL3569025 0.80 EPHX1 (0.36) MIFEPHX1PKMALPIPTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 MIF 1784/4885EPHX1 1046/4885CYP2C19 632/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 MIF 1423/4885EPHX1 3120/4885CYP2C19 209/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MIF 1157/4885EPHX1 3374/4885CYP2C19 380/4885

“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.