SCHEMBL7593499

SCHEMBL7593499

CCOC(=O)Cn1c(=O)[nH]c2sc(Br)c(C)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
HPGD P15428 1/20 0.36
TPH1 P17752 1/20 0.36
TPH2 Q8IWU9 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
PIN1 Q13526 1/20 0.35
PIN4 Q9Y237 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34

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
SCHEMBL14945517 0.85 ELANE (0.35) ALDH1A1KDM4EMAPTRXFP1ELANE
SCHEMBL14945530 0.84 GRIN2D (0.35) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL14945533 0.83 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL19939894 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AHSD17B10GSK3A
SCHEMBL14945539 0.82 KDM4E (0.30) ALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL5035308 0.81 MAPT (0.38) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL5129502 0.79 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2RXFP1
SCHEMBL7597582 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AHSD17B10GSK3A
SCHEMBL5133382 0.76 MAPT (0.43) ALDH1A1KDM4EKMT2AHPGDGAA
SCHEMBL7853865 0.76 PPARG (0.41) ALDH1A1KDM4EKMT2AHSD17B10GAA

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
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
EP-0846119-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
EP-0640606-B1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 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 (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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KDM4E 2187/4885KMT2A 2071/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KDM4E 2187/4885KMT2A 2071/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KDM4E 2187/4885KMT2A 2071/4885

“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.