SCHEMBL15746138

SCHEMBL15746138

CCn1nc(C)cc1COS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ GLS O94925 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ TSHR P16473 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
SCHEMBL14653956 0.82 KCNJ6 (0.37) LMNACYP1A2CYP3A4CYP2D6
SCHEMBL17320995 0.75 AURKA (0.35) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL27739426 0.74 MAPT (0.40) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL16050078 0.73 MAPK1 (0.46) GAAMAPTLMNACYP1A2ALDH1A1
SCHEMBL9608890 0.73 GAA (0.44) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL26020948 0.72 STING1 (0.38) ALDH1A1
SCHEMBL21768349 0.71 GAA (0.43) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL15746137 0.70 GAA (0.42) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL27111156 0.70 GAA (0.42) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL17320990 0.69 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — 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-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP GAA 326/4885MAPT 635/4885LMNA 1475/4885

“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.

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