SCHEMBL12008539

SCHEMBL12008539

O=C(O)CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.72
▸ MAPT P10636 5/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ HTT P42858 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ FABP4 P15090 1/20 0.65
▸ CISD1 Q9NZ45 2/20 0.62
▸ MAOA P21397 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.59
▸ NCOA3 Q9Y6Q9 3/20 0.59
▸ KLKB1 P03952 1/20 0.58
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MITF O75030 2/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ APAF1 O14727 1/20 0.56

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
SCHEMBL12008534 0.89 CISD1 (0.61) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008417 0.89 CISD1 (0.61) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008540 0.86 CISD1 (0.58) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008720 0.86 FABP4 (0.74) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008745 0.84 CISD1 (0.72) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL26458926 0.84 MEN1 (1.00) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL14905172 0.83 FABP4 (0.73) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008441 0.82 CISD1 (0.70) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008708 0.82 KMT2A (0.68) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL12008489 0.80 FABP4 (0.81) KMT2AMAPTMEN1ALDH1A1HTT

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 7 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-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-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-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 (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 KMT2A 4503/4885MAPT 2143/4885MEN1 3747/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MAPT 1929/4885MEN1 4655/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MAPT 1929/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MAPT 1929/4885MEN1 4655/4885

“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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