SCHEMBL12008534

SCHEMBL12008534

Cc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ MAPT P10636 4/20 0.60
▸ NCOA3 Q9Y6Q9 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KLKB1 P03952 1/20 0.60
▸ FABP4 P15090 1/20 0.59
▸ MITF O75030 2/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ HTT P42858 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ TAS2R14 Q9NYV8 1/20 0.58
▸ MEN1 O00255 3/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CTNNB1 P35222 2/20 0.56
▸ TCF4 P15884 1/20 0.56
▸ APAF1 O14727 1/20 0.55
▸ ADAMTS5 Q9UNA0 1/20 0.55

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
SCHEMBL12008539 0.89 KMT2A (0.72) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL12008417 0.88 CISD1 (0.61) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL12008540 0.87 CISD1 (0.58) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL13446523 0.86 CISD1 (0.70) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL12008745 0.83 CISD1 (0.72) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL14905172 0.82 FABP4 (0.73) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL18061185 0.82 CISD1 (0.64) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL12008441 0.82 CISD1 (0.70) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL12008748 0.81 CISD1 (0.79) CISD1MAOAMAPTNCOA3ALDH1A1
SCHEMBL14905165 0.81 CISD1 (0.79) CISD1MAOAMAPTNCOA3ALDH1A1

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 CISD1 2475/4885MAOA 4320/4885MAPT 2143/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 CISD1 2618/4885MAOA 3935/4885MAPT 1929/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CISD1 2618/4885MAOA 3935/4885MAPT 1929/4885

“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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