SCHEMBL5763802

SCHEMBL5763802

Cc1cc(O)c([N+](=O)[O-])c[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.46
CA12 O43570 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SIRT6 Q8N6T7 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7035672 0.78 TSHR (0.44) GPR35CA2CA1ALDH1A1KDM4E
SCHEMBL540381 0.77 MAPT (0.45) GPR35ALDH1A1KDM4EMAPTNPC1
SCHEMBL9455823 0.76 VCAM1 (0.44) GPR35ALDH1A1KDM4EMAPTNPC1
SCHEMBL928995 0.74 MAPT (0.46) GPR35ALDH1A1KDM4EMAPTNPC1
SCHEMBL5258907 0.74 ESPL1 (0.47) GPR35ALDH1A1KDM4EMAPTNPC1
SCHEMBL9915413 0.73 HCAR2 (0.35) ALDH1A1KDM4EMAPTTSHR
SCHEMBL7017758 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL10664976 0.71 ALDH1A1 (0.44) ALDH1A1SIRT6KDM4EMAPTNPC1
SCHEMBL11835122 0.70 GPR35 (0.60) GPR35CA12CA2CA9CA1
SCHEMBL62337 0.70 GPR35 (0.54) GPR35CA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914241-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
EP-3615515-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
EP-1039907-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-09-19 EP disclosed
US-6245769-B1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders DUPONT PHARMACEUTICALS COMPANY 2001-06-12 US disclosed
EP-1039907-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
US-6004976-A ADMINISTERING IMIDAZO(4,5-C)PYRIDIN-2,4-DIONE DERIVATIVES AS ANTICOAGULANTS MERCK & CO., INC. (US) 1999-12-21 US disclosed
EP-0934064-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-08-11 EP disclosed
WO-1999027930-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-06-10 WO disclosed
US-5869487-A HIGH SELECTIVITY FOR THROMBIN; TREATING UNSTABLE ANGINA, MYOCARDIAL INFARCTION, ATRIAL FIBRILLATION, DEEP VEIN THROMBOSIS AND OTHER DISEASES MERCK & CO., INC. (US) 1999-02-09 US disclosed
WO-1998017274-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-04-30 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-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB4 GPR35 313/4885CA12 2338/4885CA2 1203/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 GPR35 178/4885CA12 2557/4885CA2 790/4885

“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.