SCHEMBL5193709

SCHEMBL5193709

Cc1ccc(-c2cc(S)c(C(=O)O)c(C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CTRC Q99895 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ ADORA3 P0DMS8 5/20 0.45
▸ ALPL P05186 1/20 0.45
▸ DHODH Q02127 1/20 0.45
▸ GAA P10253 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL5479469 0.81 ALDH1A1 (0.59) SMN1; SMN2KDM4EADORA3GAARAB9A
SCHEMBL23605382 0.73 KDM4E (0.50) SMN1; SMN2CTRCKDM4EADORA3GAA
SCHEMBL2806171 0.71 ALDH1A1 (0.63) SMN1; SMN2KDM4EDHODHALDH1A1HSD17B10
SCHEMBL30445649 0.71 ALDH1A1 (0.63) SMN1; SMN2KDM4EDHODHALDH1A1HSD17B10
SCHEMBL5193715 0.70 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALPLDHODHGAA
SCHEMBL4250594 0.70 GSK3B (0.47) SMN1; SMN2KDM4EDHODHGAAALDH1A1
SCHEMBL2259547 0.69 ADORA3 (0.56) SMN1; SMN2CTRCKDM4EADORA3ALPL
SCHEMBL16706636 0.69 CTRC (0.66) SMN1; SMN2CTRCKDM4EADORA3ALPL
SCHEMBL9784596 0.69 ALDH1A1 (0.51) SMN1; SMN2KDM4EADORA3GAARAB9A
SCHEMBL8878224 0.69 MAPT (0.51) SMN1; SMN2KDM4EDHODHRAB9AALDH1A1

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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 — — EP 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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both AVPR2, AVPR1A, AVPR1B SMN1; SMN2 2669/4885CTRC 983/4885KDM4E 3094/4885

“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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