SCHEMBL5524344

SCHEMBL5524344

CCOC(=O)c1nc(-c2sc(NC(=O)c3c(F)cccc3F)nc2C)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MEN1 O00255 11/20 0.48
KMT2A Q03164 11/20 0.48
MAPT P10636 10/20 0.48
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
CLK1 P49759 1/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP2D6 P10635 3/20 0.48
HTT P42858 4/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PI4KB Q9UBF8 1/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL15702693 0.84 MEN1 (0.48) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15702706 0.84 GAA (0.56) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5530009 0.83 GAA (0.60) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL2832349 0.82 PI4KB (0.64) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5048812 0.82 MEN1 (0.47) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL16434200 0.75 MAPT (0.55) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16434167 0.75 TRPV4 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5049896 0.74 GAA (0.62) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2835882 0.74 ALDH1A1 (0.49) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5049047 0.73 GAA (0.61) 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 12 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-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.