SCHEMBL13446895

SCHEMBL13446895

COC(=O)c1ccc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ NCOA3 Q9Y6Q9 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CA9 Q16790 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PTPN22 Q9Y2R2 2/20 0.56
▸ AKR1B1 P15121 4/20 0.55
▸ PPARG P37231 1/20 0.55
▸ MITF O75030 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CISD1 Q9NZ45 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ CACNA1B Q00975 1/20 0.53
▸ APBA1 Q02410 1/20 0.53
▸ ENPP2 Q13822 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL12008799 0.89 MAPT (0.76) MAPTNCOA3ALDH1A1CTDSP1TDP1
SCHEMBL20534421 0.86 MAPT (0.79) MAPTNCOA3ALDH1A1CA9AKR1B1
SCHEMBL20534423 0.86 MAPT (0.79) MAPTNCOA3ALDH1A1CA9AKR1B1
SCHEMBL12008558 0.82 CACNA1B (0.73) MAPTNCOA3ALDH1A1TDP1PTPN22
SCHEMBL18539153 0.81 NPC1 (0.48) MAPTALDH1A1CA9CTDSP1TDP1
SCHEMBL14905143 0.81 NPSR1 (0.76) MAPTNCOA3ALDH1A1PTPN22AKR1B1
SCHEMBL14901040 0.80 NPC1 (0.55) MAPTNCOA3ALDH1A1CA9AKR1B1
SCHEMBL20534542 0.79 CA9 (0.74) MAPTNCOA3ALDH1A1CA9PPARG
SCHEMBL20534442 0.79 CA9 (0.74) MAPTNCOA3ALDH1A1CA9PPARG
SCHEMBL31376923 0.78 MYC (0.68) MAPTALDH1A1CA9TDP1PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 2143/4885NCOA3 547/4885ALDH1A1 935/4885

“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