SCHEMBL4811503

SCHEMBL4811503

O=C(O)Cc1c(Br)csc1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
AKR1B1 P15121 3/20 0.38
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
THRB P10828 2/20 0.34
GPR35 Q9HC97 6/20 0.32
THRA P10827 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL4697289 0.81 AKR1B1 (0.36) TSHRAKR1B1GABRA5GABRB2HSD17B10
SCHEMBL4695505 0.70 PTGDR2 (0.34) THRBTHRA
SCHEMBL29184035 0.69 GSK3B (0.40) TSHRAKR1B1GABRA5GABRB2HSD17B10
SCHEMBL9658959 0.68 AKR1B1 (0.46) TSHRAKR1B1GABRB2HSD17B10CSNK2A2
SCHEMBL19475267 0.68 AKR1B1 (0.56) TSHRAKR1B1HSD17B10
SCHEMBL4811379 0.68 AKR1B1 (0.49) AKR1B1THRBTHRA
SCHEMBL27866714 0.67 GABRA5 (0.43) GABRA5GABRB2HSD17B10GSK3BTHRB
SCHEMBL2789591 0.67 GAA (0.42) TSHRAKR1B1HSD17B10CSNK2A2CSNK2B
SCHEMBL29188157 0.65 KDM4E (0.46) TSHRAKR1B1THRBTHRA
SCHEMBL1492936 0.65 CES2 (0.45) AKR1B1GABRA5GABRB2HSD17B10GSK3B

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-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
WO-2006088694-A1 SUBSTITUTED THIENYL AND FURYL ACYLGUANIDINES AS β-SECRETASE MODULATORS WYETH (US) 2006-08-24 WO disclosed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 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 (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-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators BACE1, BACE2, PSEN1 TSHR 3207/4885AKR1B1 1452/4885GABRA5 1044/4885

“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.