SCHEMBL3597744

SCHEMBL3597744

Cc1c(NC(=O)O)cc2c(c1C)OC(C)(C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TSHR P16473 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL3593733 0.78 GPR35 (0.31) GPR35
SCHEMBL658119 0.72 ESR1 (0.33) ESR1ESR2
SCHEMBL6028951 0.65 IRAK4 (0.35) GPR35TSHR
SCHEMBL659806 0.65 ESR1 (0.42) ESR1ESR2
SCHEMBL2431763 0.64 MALT1 (0.34) HCAR3HCAR2
SCHEMBL3597240 0.63 PTGS1 (0.30)
SCHEMBL3604729 0.63
SCHEMBL6321379 0.59 PTGS1 (0.40)
SCHEMBL17770661 0.59 CXCR2 (0.34) GPR35
SCHEMBL11056444 0.58 KMT2A (0.46) GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 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 (4 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 GPR35 25/4885ESR1 202/4885ESR2 622/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GPR35 25/4885ESR1 202/4885ESR2 622/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GPR35 25/4885ESR1 202/4885ESR2 622/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GPR35 25/4885ESR1 202/4885ESR2 622/4885

“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.