SCHEMBL496357

SCHEMBL496357

Cc1cc2c(C(=O)O)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
PTPN1 P18031 1/20 0.42
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
CA1 P00915 2/20 0.41
CA3 P07451 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL16160316 0.86 KDM4E (0.44) CA12CA9MEN1KMT2AKDM4E
SCHEMBL14744629 0.84 CYP1A1 (0.38) CA12CA9CA2MEN1KMT2A
SCHEMBL1380868 0.84 ALDH1A1 (0.50) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL1398744 0.81 NPC1 (0.48) KMT2ANR4A2POLBKDM4EALDH1A1
SCHEMBL3318506 0.80 NR4A1 (0.46) CA12CA9CA2MEN1KMT2A
SCHEMBL6676335 0.79 TSHR (0.54) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3056183 0.79 NR4A1 (0.44) CA12CA9CA2MEN1KMT2A
SCHEMBL30669435 0.79 MAPT (0.50) CA12CA9MEN1KMT2ANR4A1
SCHEMBL15828668 0.78 MEN1 (0.44) CA12CA9CA2MEN1KMT2A
SCHEMBL3311488 0.76 NR4A1 (0.42) CA12CA9CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP claimed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO claimed
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2025-09-30 US disclosed
EP-3990442-B1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-02-28 EP disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2008-03-27 US disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
WO-2007133653-A2 METHODS FOR TREATING BLOOD DISORDERS HEMAQUEST PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
WO-2007133653-A2 METHODS FOR TREATING BLOOD DISORDERS HEMAQUEST PHARMACEUTICALS, INC. (US) 2007-11-22 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 (6 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CA12 2853/4885CA9 3001/4885CA2 987/4885
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof ROCK1, ROCK2, RHOA CA12 4516/4885CA9 4012/4885CA2 1208/4885
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R CA12 3445/4885CA9 3932/4885CA2 1666/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CA12 3138/4885CA9 1934/4885CA2 1591/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 CA12 3203/4885CA9 1665/4885CA2 2169/4885
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production HBG1, HBG2, HBB CA12 846/4885CA9 1604/4885CA2 1180/4885

“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.