SCHEMBL12009676

SCHEMBL12009676

NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.83
▸ KMT2A Q03164 9/20 0.69
▸ MEN1 O00255 8/20 0.69
▸ GPR55 Q9Y2T6 2/20 0.69
▸ NPC1 O15118 1/20 0.69
▸ MAPT P10636 6/20 0.67
▸ POLB P06746 5/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ LMNA P02545 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ GAA P10253 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ RAB9A P51151 1/20 0.63

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
SCHEMBL18545589 0.94 FFAR1 (0.73) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12006896 0.91 FFAR1 (1.00) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12006886 0.89 FFAR1 (0.81) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008981 0.87 FFAR1 (0.78) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL19420154 0.86 FFAR1 (1.00) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008950 0.85 FFAR1 (0.86) FFAR1KMT2AMEN1MAPTPOLB
SCHEMBL12008880 0.85 FFAR1 (0.73) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008990 0.85 KMT2A (0.86) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008874 0.84 MEN1 (0.85) FFAR1KMT2AMEN1GPR55NPC1
SCHEMBL12008997 0.84 FFAR1 (0.72) FFAR1KMT2AMEN1GPR55NPC1

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 5 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-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — US disclosed
US-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 — — 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 (3 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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 3561/4885KMT2A 4503/4885MEN1 3747/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885KMT2A 4591/4885MEN1 4655/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885KMT2A 4591/4885MEN1 4655/4885

“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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