SCHEMBL11996403

SCHEMBL11996403

COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CC(=O)O)C2=O)cc(OC)c1O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.73
▸ AKR1B1 P15121 2/20 0.73
▸ ACP1 P24666 6/20 0.61
▸ CA9 Q16790 2/20 0.60
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ PSMD14 O00487 1/20 0.57
▸ FAAH O00519 1/20 0.57
▸ PTPN2 P17706 4/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11996404 1.00 PTPN1 (0.73) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL3891157 0.89 PTPN1 (0.59) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL3891749 0.89 PTPN1 (0.59) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL3891738 0.89 PTPN1 (0.59) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL3890248 0.84 PTPN1 (0.55) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL3890244 0.84 PTPN1 (0.55) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL17309393 0.84 CA9 (0.60) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL19481523 0.84 CA9 (0.60) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL12013726 0.84 CA9 (0.56) PTPN1AKR1B1ACP1CA9MEN1
SCHEMBL3891123 0.84 CA9 (0.56) PTPN1AKR1B1ACP1CA9MEN1

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-8252794-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-28 — — US claimed
US-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 — — US disclosed
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