SCHEMBL8976539

SCHEMBL8976539

CCn1cc(CC(=O)OC)nn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
MIF P14174 1/20 0.38
HDAC1 Q13547 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
ICMT O60725 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL28759029 0.84 CYP4F2 (0.41) KDM4EMIFHDAC1ALDH1A1ICMT
SCHEMBL19302738 0.81 KDM4E (0.41) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL2628187 0.81 KDM4E (0.41) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL26769607 0.80 KDM4E (0.39) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL17122469 0.79 MIF (0.40) KDM4EMIFALDH1A1USP2HSP90AB1
SCHEMBL24666587 0.79 CYP19A1 (0.57) HDAC1ALDH1A1HSP90AB1NPC1
SCHEMBL26769610 0.79 CYP19A1 (0.46) HDAC1ALDH1A1HSP90AB1
SCHEMBL20362413 0.77 CYP1A2 (0.40) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL8976563 0.77 MAPK1 (0.39) KDM4EMIFHDAC1ICMTHSD17B10
SCHEMBL23308741 0.75 CCNE1 (0.38) KDM4EMIFALDH1A1USP2HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP KDM4E 1547/4885KDM5C 2100/4885KDM4C 1942/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB KDM4E 3055/4885KDM5C 3722/4885KDM4C 4010/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 KDM4E 664/4885KDM5C 278/4885KDM4C 506/4885

“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.