SCHEMBL12008709

SCHEMBL12008709

O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 6/20 1.00
▸ GPR35 Q9HC97 6/20 1.00
▸ PTPN22 Q9Y2R2 6/20 1.00
▸ MEN1 O00255 13/20 0.79
▸ KMT2A Q03164 13/20 0.79
▸ MAPT P10636 7/20 0.79
▸ POLB P06746 6/20 0.79
▸ PTPN7 P35236 5/20 0.79
▸ SMN1; SMN2 Q16637 5/20 0.79
▸ MAPK1 P28482 4/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ L3MBTL1 Q9Y468 3/20 0.79
▸ TP53 P04637 1/20 0.79
▸ HPGD P15428 1/20 0.79
▸ GLP1R P43220 1/20 0.79
▸ RAB9A P51151 1/20 0.79
▸ MCL1 Q07820 1/20 0.79
▸ PSMD14 O00487 1/20 0.77
▸ HTT P42858 3/20 0.76
▸ TDP1 Q9NUW8 3/20 0.76

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
SCHEMBL12008726 0.94 PTPN12 (0.90) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008712 0.93 PTPN12 (0.86) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008937 0.89 POLB (0.90) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL17240993 0.88 KMT2A (1.00) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL17240991 0.88 KMT2A (1.00) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008722 0.87 PTPN12 (0.77) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008735 0.87 PTPN12 (1.00) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008606 0.86 PTPN12 (0.76) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008563 0.86 GPR35 (0.76) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008716 0.86 NPC1 (0.83) PTPN12GPR35PTPN22MEN1KMT2A

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 12 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
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-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — 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 PTPN12 226/4885GPR35 302/4885PTPN22 374/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885GPR35 299/4885PTPN22 534/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885GPR35 299/4885PTPN22 534/4885

“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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