SCHEMBL8240488

SCHEMBL8240488

Cc1nc(NC(=O)c2c(F)cccc2F)sc1C(=O)CBr

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
PKM P14618 2/20 0.55
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PCSK9 Q8NBP7 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL5047181 0.85 GAA (1.00) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL3582734 0.81 GAA (0.75) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL3798715 0.81 NPC1 (0.64) RAB9ANPC1SMN1; SMN2PKMHTT
SCHEMBL5523743 0.81 GAA (0.70) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL15702690 0.76 MEN1 (0.52) GAARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1062484 0.76 ALDH1A1 (0.61) GAARAB9ANPC1SMN1; SMN2PKM
Bromide SCHEMBL6113912 0.74 ALDH1A1 (0.60) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL4525376 0.74 ALDH1A1 (0.46) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL5530009 0.74 GAA (0.60) GAARAB9ANPC1SMN1; SMN2PKM
SCHEMBL5133299 0.74 GAA (0.60) 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 7 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-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
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 (2 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-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.