SCHEMBL1902161

SCHEMBL1902161

Cc1nc(/C=C/C(=O)O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
GAA P10253 2/20 0.36
HCAR2 Q8TDS4 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL6181311 1.00 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL6718396 0.98 KDM4E (0.40) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL9032838 0.81 KMT2A (0.47) KDM4EALDH1A1MAP3K7TAB1GAA
SCHEMBL7318845 0.81 MAP3K7 (0.39) MAP3K7TAB1
SCHEMBL10540316 0.81 MAP3K7 (0.39) MAP3K7TAB1
SCHEMBL9326981 0.79 KDM4E (0.46) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL6181182 0.78 CA12 (0.46) KDM4ECYP3A4ALDH1A1GAAHCAR2
SCHEMBL6726458 0.78 CA12 (0.46) KDM4ECYP3A4ALDH1A1GAAHCAR2
SCHEMBL9129568 0.78 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL31324241 0.78 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765063-B2 Amido compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2017-09-19 US disclosed
US-9765063-B2 Amido compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2017-09-19 US disclosed
US-20150057278-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
US-20150057278-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
WO-2013036912-A2 AMIDO COMPOUNDS AS RORϒTMODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2013-03-14 WO disclosed
EP-2499162-A2 MATERIAL AND METHODS FOR TREATING OR PREVENTING HER-3 ASSOCIATED DISEASES U3 Pharma GmbH (DE) 2012-09-19 EP disclosed
WO-2011060206-A2 MATERIAL AND METHODS FOR TREATING OR PREVENTING HER-3 ASSOCIATED DISEASES U3 PHARMA GMBH (DE) 2011-05-19 WO disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
EP-1000932-B9 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-28 EP disclosed
EP-1458686-A1 BENZOCYCLODECANE DERIVATIVES WITH ANTITUMOR ACTIVITY Pharmacia Italia S.p.A. (IT) 2004-09-22 EP disclosed
EP-1000932-B1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2004-09-15 EP disclosed
WO-2003055861-A1 BENZOCYCLODECANE DERIVATIVES WITH ANTITUMOR ACTIVITY PHARMACIA ITALIA SPA (IT) 2003-07-10 WO disclosed
US-6242474-B1 SULFONYLCARBAMOYLALKYLIMIDAZOLE DERIVATIVES; ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-1000932-A1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-17 EP 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 (1 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-20150057278-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF RORB, RORA, RORC KDM4E 4657/4885LMNA 3580/4885BLM 4865/4885

“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.