SCHEMBL25281178

SCHEMBL25281178

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 12/20 0.59
TAS2R14 Q9NYV8 5/20 0.50
BMP1 P13497 2/20 0.48
PTGES O14684 1/20 0.47
TAS2R8 Q9NYW2 1/20 0.47
CXCR3 P49682 1/20 0.47

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
SCHEMBL23012919 0.94 APLNR (0.56) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL30200824 0.94 APLNR (0.56) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL25285440 0.93 APLNR (0.52) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL3586758 0.85 APLNR (0.59) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL19285058 0.85 APLNR (0.59) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL27266410 0.84 APLNR (0.58) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL27266465 0.84 APLNR (0.58) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL19812390 0.84 APLNR (0.58) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL16235820 0.83 APLNR (0.65) APLNRTAS2R14BMP1PTGESTAS2R8
SCHEMBL22894835 0.82 APLNR (0.56) APLNRTAS2R14BMP1PTGESTAS2R8

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
EP-4630001-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Merck Sharp & Dohme LLC (US) 2025-10-15 EP disclosed
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-02-20 US disclosed
WO-2024123585-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-13 WO disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 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 (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-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF SULT1E1, TPMT, SULT1A1 APLNR 4835/4885TAS2R14 500/4885BMP1 2773/4885

“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.