SCHEMBL5480696

SCHEMBL5480696

CCC(C(=O)O)c1csc2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CMA1 P23946 13/20 0.47
CYP2A6 P11509 2/20 0.46
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
CTSG P08311 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL20769676 0.86 KEAP1 (0.50) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL10443345 0.83 CYP2A6 (0.43) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL20769674 0.83 CMA1 (0.49) KEAP1NFE2L2CMA1PRSS1PRSS2
SCHEMBL20769662 0.81 KEAP1 (0.52) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL10443833 0.80 F9 (0.42) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL5469039 0.80 ALOX5 (0.50) CMA1CYP2A6MAPT
SCHEMBL12315021 0.78 CMA1 (0.59) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL16753110 0.78 KEAP1 (0.49) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL3126894 0.76 CMA1 (0.50) KEAP1NFE2L2CMA1CYP2A6PRSS1
SCHEMBL15211671 0.76 HSD17B10 (0.38) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 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 (2 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A KEAP1 2597/4885NFE2L2 2528/4885CMA1 3030/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 KEAP1 2566/4885NFE2L2 2814/4885CMA1 2916/4885

“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.