SCHEMBL5530009

SCHEMBL5530009

Cc1nc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
MEN1 O00255 12/20 0.56
KMT2A Q03164 12/20 0.56
MAPT P10636 12/20 0.56
ALDH1A1 P00352 10/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
CLK1 P49759 1/20 0.56
CYP1A2 P05177 5/20 0.53
CYP2C19 P33261 5/20 0.53
HPGD P15428 5/20 0.53
CYP3A4 P08684 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
PIK3CG P48736 2/20 0.50
PI4KB Q9UBF8 1/20 0.50

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
SCHEMBL15702706 0.87 GAA (0.56) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL8237852 0.86 OPRM1 (0.50) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5524344 0.83 GAA (0.52) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL15702691 0.81 MEN1 (0.55) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5049896 0.81 GAA (0.62) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5049047 0.80 GAA (0.61) GAAMEN1KMT2AMAPTALDH1A1
Bromide SCHEMBL5048778 0.80 GAA (0.61) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5052604 0.79 GAA (0.60) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5051473 0.79 KMT2A (0.53) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5052748 0.78 GAA (0.56) GAAMEN1KMT2AMAPTALDH1A1

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 13 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
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

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 GAA 1584/4885MEN1 3972/4885KMT2A 4375/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 GAA 1584/4885MEN1 3972/4885KMT2A 4375/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 GAA 1584/4885MEN1 3972/4885KMT2A 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.