SCHEMBL5048838

SCHEMBL5048838

COc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RORB Q92753 4/20 0.47
CTSA P10619 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45
SCD O00767 2/20 0.45
PPARD Q03181 1/20 0.44
GAA P10253 1/20 0.43
NCS1 P62166 1/20 0.43
MAPK14 Q16539 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5046707 0.84 ALDH1A1 (0.53) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5133373 0.82 GAA (0.56) IL2ALDH1A1KMT2AMEN1MAPT
SCHEMBL5048908 0.81 KMT2A (0.54) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5051440 0.81 IL2 (0.55) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5049839 0.81 IL2 (0.59) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5048985 0.81 IL2 (0.53) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5517951 0.81 KMT2A (0.59) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5046929 0.81 IL2 (0.53) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5051473 0.80 KMT2A (0.53) IL2ALDH1A1KMT2AMEN1RORB
SCHEMBL5526486 0.80 IL2 (0.53) IL2ALDH1A1KMT2AMEN1RORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US claimed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US claimed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 IL2 29/4885ALDH1A1 747/4885KMT2A 4375/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 IL2 29/4885ALDH1A1 747/4885KMT2A 4375/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 IL2 29/4885ALDH1A1 747/4885KMT2A 4375/4885

“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.