SCHEMBL12008620

SCHEMBL12008620

O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 8/20 0.88
▸ PTPN12 Q05209 7/20 0.88
▸ PTPN22 Q9Y2R2 7/20 0.88
▸ PTPN7 P35236 6/20 0.88
▸ PSMD14 O00487 2/20 0.79
▸ GPR55 Q9Y2T6 2/20 0.79
▸ MMP2 P08253 1/20 0.79
▸ MEN1 O00255 8/20 0.71
▸ KMT2A Q03164 8/20 0.71
▸ CTDSP1 Q9GZU7 2/20 0.71
▸ POLB P06746 2/20 0.71
▸ BLM P54132 1/20 0.71
▸ MAPT P10636 6/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ DDX3X O00571 2/20 0.67
▸ MAPK1 P28482 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58

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
SCHEMBL12008591 0.95 PTPN12 (0.80) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008735 0.94 PTPN12 (1.00) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008765 0.89 PTPN12 (0.91) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008619 0.89 PTPN7 (1.00) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008712 0.87 PTPN12 (0.86) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008618 0.86 PTPN12 (1.00) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL6720199 0.86 MEN1 (0.85) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008783 0.85 DDX3X (0.91) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL18539155 0.84 GPR35 (0.63) GPR35PTPN12PTPN22PTPN7PSMD14
SCHEMBL12008593 0.83 KMT2A (1.00) GPR35PTPN12PTPN22PTPN7PSMD14

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 14 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
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
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 (4 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 GPR35 302/4885PTPN12 226/4885PTPN22 374/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 GPR35 299/4885PTPN12 457/4885PTPN22 534/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 GPR35 299/4885PTPN12 457/4885PTPN22 534/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 GPR35 299/4885PTPN12 457/4885PTPN22 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.

Send feedback