SCHEMBL15094004

SCHEMBL15094004

COc1ccc(CN(C)[SH](=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PYCR1 P32322 1/20 0.51
▸ ACHE P22303 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ BCHE P06276 1/20 0.48
▸ AOC3 Q16853 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ TAS2R14 Q9NYV8 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CMA1 P23946 1/20 0.44

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
SCHEMBL14393820 0.82 APLNR (0.56) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL28168017 0.79 APLNR (0.50) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL4611890 0.79 PYCR1 (0.69) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL385286 0.79 HRH3 (0.58) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL17099352 0.77 APLNR (0.55) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL25546166 0.77 PYCR1 (0.47) PYCR1IDO1TAS2R14
SCHEMBL5270803 0.76 APLNR (0.59) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL12049800 0.76 APLNR (0.59) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL10049173 0.75 AOC3 (0.66) APLNRALDH1A1HTTSMN1; SMN2PYCR1
SCHEMBL28074567 0.75 IDO1 (0.56) APLNRALDH1A1HTTSMN1; SMN2PYCR1

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-10618892-B2 Processes for the preparation of a BACE inhibitor MERCK SHARP & DOHME CORP. (US) 2020-04-14 — — US disclosed
US-20150291514-A1 N-Aminosulfonyl Benzamides PFIZER LIMTED (GB) 2015-10-15 — — US disclosed
EP-2800740-A1 N-AMINOSULFONYL BENZAMIDES Pfizer Limited (GB) 2014-11-12 — — EP disclosed
WO-2013102826-A1 N-AMINOSULFONYL BENZAMIDES PFIZER LIMITED (GB) 2013-07-11 — — WO 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-10618892-B2 Processes for the preparation of a BACE inhibitor BACE2, BACE1, APP APLNR 4103/4885ALDH1A1 837/4885HTT 376/4885
US-20150291514-A1 N-Aminosulfonyl Benzamides SCN7A, SCN2B, SCN1B APLNR 2306/4885ALDH1A1 1823/4885HTT 3028/4885

“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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