SCHEMBL5047181

SCHEMBL5047181

CC(=O)c1sc(NC(=O)c2c(F)cccc2F)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
RAB9A P51151 12/20 0.74
NPC1 O15118 11/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
PKM P14618 2/20 0.74
TP53 P04637 2/20 0.74
ALOX15 P16050 1/20 0.74
HTT P42858 1/20 0.74
HSD17B10 Q99714 1/20 0.74
ALDH1A1 P00352 4/20 0.70
KMT2A Q03164 6/20 0.65
MEN1 O00255 4/20 0.65
NPSR1 Q6W5P4 2/20 0.62
RXFP1 Q9HBX9 2/20 0.59
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.55

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
SCHEMBL3582734 0.86 GAA (0.75) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL8240488 0.85 GAA (0.73) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL5523743 0.82 GAA (0.70) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL28475672 0.80 RAB9A (0.80) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL3803935 0.79 RAB9A (0.79) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL5049896 0.77 GAA (0.62) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL28482095 0.76 RAB9A (0.84) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL15702664 0.76 GAA (0.61) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL5049047 0.76 GAA (0.61) GAARAB9ANPC1SMN1; SMN2PKM
Bromide SCHEMBL5048778 0.76 GAA (0.61) GAARAB9ANPC1SMN1; SMN2PKM

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 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 GAA 1584/4885RAB9A 2135/4885NPC1 538/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 GAA 1584/4885RAB9A 2135/4885NPC1 538/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 GAA 1584/4885RAB9A 2135/4885NPC1 538/4885

“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.