SCHEMBL2916136

SCHEMBL2916136

CCOC(=O)c1cccnc1OC(=O)C(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ PPARA Q07869 1/20 0.58
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ POLB P06746 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5146867 0.80 L3MBTL1 (0.54) TSHRCYP1A2ABCB11CYP3A4HTR2A
SCHEMBL28954939 0.80 CYP1A2 (0.52) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL28086141 0.76 PPARA (0.94) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL2356 0.75 PPARA (1.00) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL3953607 0.75 PPARA (1.00) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL3345 0.74 PPARA (0.97) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL11180679 0.74 PPARA (0.97) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL11184809 0.74 PPARA (0.97) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL11187010 0.74 PPARA (0.97) TSHRCYP1A2ABCB11CYP3A4HTR2A
Clofibrate SCHEMBL29262880 0.74 PPARA (0.97) TSHRCYP1A2ABCB11CYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 — — EP claimed
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 — — US claimed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 — — EP claimed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 — — WO claimed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 — — WO claimed
CN-112174899-B Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2023-01-17 — — CN disclosed
CN-112174899-A Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2021-01-05 — — CN disclosed
US-9834820-B2 Methods for the treatment and diagnosis of bone mineral density related diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-12-05 — — US disclosed
EP-2227560-B1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-10-18 — — EP disclosed
US-20150104437-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES Universite De Paris (FR) 2015-04-16 — — US disclosed
US-20100284991-A1 Methods for the Treatment and Diagnosis of Bone Mineral Density Related Diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-11-11 — — US disclosed
EP-2227560-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2010-09-15 — — EP disclosed
WO-2009071661-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-06-11 — — WO disclosed
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 — — EP disclosed
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 — — US disclosed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 — — EP disclosed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 — — WO disclosed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 — — WO 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 (2 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-20100284991-A1 Methods for the Treatment and Diagnosis of Bone Mineral Density Related Diseases TBXAS1, TBXA2R, HPGDS TSHR 316/4885CYP1A2 1033/4885ABCB11 1056/4885
US-20150104437-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES TBXAS1, TBXA2R, HPGDS TSHR 355/4885CYP1A2 1240/4885ABCB11 609/4885

“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.

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