SCHEMBL18539156

SCHEMBL18539156

CCc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.80
▸ MEN1 O00255 8/20 0.63
▸ KMT2A Q03164 8/20 0.63
▸ TDP1 Q9NUW8 5/20 0.63
▸ PSMD14 O00487 2/20 0.63
▸ SAE1 Q9UBE0 2/20 0.63
▸ UBA2 Q9UBT2 2/20 0.63
▸ BLM P54132 1/20 0.63
▸ POLB P06746 6/20 0.61
▸ PTPN12 Q05209 4/20 0.61
▸ GPR35 Q9HC97 4/20 0.61
▸ PTPN22 Q9Y2R2 4/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.59
▸ PTPN7 P35236 3/20 0.57
▸ KDR P35968 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ ALPL P05186 1/20 0.56

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
SCHEMBL31377033 0.95 NPC1 (0.72) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31376976 0.94 NPC1 (0.71) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL12008589 0.91 MEN1 (0.76) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL18539160 0.90 NPC1 (0.84) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31377003 0.88 GPR35 (0.64) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31376962 0.86 GPR35 (0.66) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31376994 0.86 NPC1 (0.65) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31376947 0.85 GPR35 (0.63) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31376972 0.85 GPR35 (0.63) NPC1MEN1KMT2ATDP1PSMD14
SCHEMBL31377011 0.85 GPR35 (0.65) NPC1MEN1KMT2ATDP1PSMD14

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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — US disclosed
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 NPC1 1604/4885MEN1 4655/4885KMT2A 4591/4885

“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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