SCHEMBL22924965

SCHEMBL22924965

COc1ccc(CN(c2nccc(C(C(=O)O)C(C)C)n2)S(=O)(=O)C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MMP13 P45452 3/20 0.38
BMP1 P13497 1/20 0.38
TAS2R14 Q9NYV8 3/20 0.37
CXCR3 P49682 2/20 0.37
PTGES O14684 2/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
LDHA P00338 1/20 0.37
ADAMTS4 O75173 1/20 0.36

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
Potassium SCHEMBL30882859 0.99 APLNR (0.38) APLNRMMP2MMP9MMP8MMP13
SCHEMBL29228057 0.99 APLNR (0.38) APLNRMMP2MMP9MMP8MMP13
SCHEMBL30416333 0.92 APLNR (0.38) APLNRMMP2MMP9MMP8MMP13
SCHEMBL21392057 0.92 APLNR (0.38) APLNRMMP2MMP9MMP8MMP13
Potassium Ion SCHEMBL30725705 0.91 APLNR (0.37) APLNRMMP2MMP9MMP8MMP13
Potassium Ion SCHEMBL28474917 0.91 APLNR (0.37) APLNRMMP2MMP9MMP8MMP13
SCHEMBL22924968 0.88 APLNR (0.35) APLNRMMP2MMP9MMP8MMP13
SCHEMBL25778783 0.84 APLNR (0.37) APLNR
SCHEMBL21392069 0.82 APLNR (0.36) APLNRTAS2R14CXCR3PTGES
SCHEMBL30416047 0.82 APLNR (0.36) APLNRTAS2R14CXCR3PTGES

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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 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-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 APLNR 3512/4885MMP2 2301/4885MMP9 849/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 APLNR 3512/4885MMP2 2301/4885MMP9 849/4885

“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.