SCHEMBL23386554

SCHEMBL23386554

C=CC[C@H](CO)CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 12/20 0.54
TAS2R14 Q9NYV8 5/20 0.43
PTGES O14684 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
CXCR3 P49682 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17542376 0.89 APLNR (0.56) APLNRTAS2R14ALDH1A1TP53CYP3A4
SCHEMBL17542277 0.89 APLNR (0.56) APLNRTAS2R14ALDH1A1TP53CYP3A4
SCHEMBL17542279 0.89 APLNR (0.56) APLNRTAS2R14ALDH1A1TP53CYP3A4
SCHEMBL23386549 0.88 APLNR (0.54) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL17565628 0.85 APLNR (0.51) APLNRTAS2R14ALDH1A1
SCHEMBL17565627 0.85 APLNR (0.51) APLNRTAS2R14ALDH1A1
SCHEMBL17542196 0.84 APLNR (0.58) APLNRTAS2R14ALDH1A1TP53CYP3A4
SCHEMBL17542199 0.84 APLNR (0.58) APLNRTAS2R14ALDH1A1TP53CYP3A4
SCHEMBL17542179 0.84 APLNR (0.58) APLNRTAS2R14ALDH1A1TP53CYP3A4
SCHEMBL19284974 0.81 APLNR (0.56) APLNRTAS2R14PTGESTAS2R8CXCR3

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-20230348494-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. 2023-11-02 US disclosed
US-11667652-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-06-06 US disclosed
WO-2021096860-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-05-20 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-20230348494-A1 MCL1 INHIBITORS MCL1, BCL2L1, BCLAF1 APLNR 3784/4885TAS2R14 4829/4885PTGES 3332/4885
US-11667652-B2 MCL1 inhibitors MCL1, BCL2L1, BCLAF1 APLNR 3784/4885TAS2R14 4829/4885PTGES 3332/4885

“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.