SCHEMBL12009028

SCHEMBL12009028

Cc1cc(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 9/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ S1PR1 P21453 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HTT P42858 3/20 0.58
▸ S1PR5 Q9H228 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ TCF4 P15884 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ TP53 P04637 1/20 0.53
▸ MYC P01106 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL12009729 0.92 S1PR4 (0.60) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009085 0.92 TCF4 (0.67) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009051 0.87 TCF4 (0.70) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18545491 0.87 TCF4 (0.70) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009024 0.87 NR1H4 (0.64) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18545454 0.85 TCF4 (0.64) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009100 0.85 TCF4 (0.64) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18545664 0.84 TCF4 (0.64) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009074 0.84 TCF4 (0.64) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009093 0.84 TCF4 (0.66) S1PR4NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 — — US disclosed
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 — — 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-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 — — US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 — — 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-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 S1PR4 3908/4885NPC1 1545/4885ALDH1A1 935/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 S1PR4 3613/4885NPC1 1604/4885ALDH1A1 413/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 S1PR4 3613/4885NPC1 1604/4885ALDH1A1 413/4885

“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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