SCHEMBL22808227

SCHEMBL22808227

CC(C)C(=O)Nc1ccc(C(=O)NS)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MLYCD O95822 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KMT2A Q03164 6/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ADORA2A P29274 1/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ MAPT P10636 3/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ STAT3 P40763 1/20 0.52

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
SCHEMBL18880072 0.82 ALDH1A1 (0.73) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL20086461 0.82 ALDH1A1 (0.60) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL22199591 0.79 ALDH1A1 (0.66) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL18896262 0.79 ALDH1A1 (0.66) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL7278525 0.79 ALDH1A1 (0.71) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL14254805 0.79 ALDH1A1 (0.66) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL20086467 0.79 NPSR1 (0.58) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL26884995 0.78 ALDH1A1 (0.55) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL3093916 0.78 HSD17B10 (0.66) ALDH1A1RAB9ANPSR1HTTHPGD
SCHEMBL5201567 0.78 ALDH1A1 (0.64) ALDH1A1RAB9ANPSR1HTTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 — — 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 (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-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF ALDH1A1 314/4885RAB9A 3108/4885NPSR1 2021/4885

“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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