SCHEMBL18539174

SCHEMBL18539174

O=C(CCCN1C(=O)S/C(=C/c2cccs2)C1=O)NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ NCOA1 Q15788 1/20 0.57
▸ NCOA3 Q9Y6Q9 1/20 0.57
▸ FFAR1 O14842 2/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ MAPT P10636 5/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ GPR55 Q9Y2T6 2/20 0.53
▸ POLB P06746 4/20 0.52
▸ MAPK1 P28482 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL12008894 0.90 FFAR1 (0.71) NPC1RAB9ANCOA1NCOA3FFAR1
SCHEMBL12008966 0.89 FFAR1 (0.70) NPC1RAB9ANCOA1NCOA3FFAR1
SCHEMBL12008971 0.84 KMT2A (0.65) NPC1RAB9ANCOA1NCOA3FFAR1
SCHEMBL12008980 0.83 KMT2A (0.66) NPC1RAB9ANCOA1NCOA3FFAR1
SCHEMBL13746169 0.81 FFAR1 (0.66) NPC1RAB9ANCOA1NCOA3FFAR1
SCHEMBL29214969 0.80 HDAC1 (0.67) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL29214971 0.80 HDAC1 (0.67) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL29215005 0.79 FFAR1 (0.79) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL29215003 0.79 FFAR1 (0.79) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL12008925 0.78 POLB (0.73) NPC1FFAR1MEN1KMT2AMAPT

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 1604/4885RAB9A 3367/4885NCOA1 168/4885

“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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