SCHEMBL5048901

SCHEMBL5048901

Cc1nc(C(N)=O)sc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 10/20 0.56
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
JAK2 O60674 1/20 0.50
XDH P47989 1/20 0.48
PARP1 P09874 2/20 0.46
SCN9A Q15858 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PIN1 Q13526 1/20 0.45
KIF11 P52732 1/20 0.44

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
SCHEMBL5047008 0.88 ALDH1A1 (0.62) GPR52ALDH1A1SMN1; SMN2JAK2XDH
SCHEMBL3668739 0.88 GPR52 (0.44) GPR52ALDH1A1SMN1; SMN2JAK2SCN9A
SCHEMBL5049890 0.83 MAPT (0.61) GPR52ALDH1A1SMN1; SMN2XDHMEN1
SCHEMBL14364255 0.81 NPY5R (0.50) GPR52ALDH1A1SMN1; SMN2XDHMEN1
SCHEMBL5524865 0.80 IL2 (0.54) GPR52ALDH1A1SMN1; SMN2XDHMEN1
SCHEMBL330359 0.80 BRD4 (0.51) GPR52ALDH1A1SMN1; SMN2XDH
SCHEMBL327568 0.79 ALDH1A1 (0.52) GPR52ALDH1A1SMN1; SMN2JAK2XDH
SCHEMBL48415 0.78 PIK3CD (0.61) GPR52ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5048776 0.77 IL2 (0.51) GPR52ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL5063157 0.76 GPR52 (0.41) GPR52SCN9AMEN1KMT2A

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 9 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-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
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
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 GPR52 2581/4885ALDH1A1 747/4885SMN1; SMN2 4798/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 GPR52 2581/4885ALDH1A1 747/4885SMN1; SMN2 4798/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 GPR52 2581/4885ALDH1A1 747/4885SMN1; SMN2 4798/4885

“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.