SCHEMBL5048868

SCHEMBL5048868

Cc1nc(-c2cc(C(F)(F)F)ccc2Cl)sc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 5/20 0.62
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 4/20 0.51
POLB P06746 1/20 0.51
AGPAT2 O15120 2/20 0.48
GAA P10253 2/20 0.47
EIF4E P06730 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
AHR P35869 1/20 0.44
XDH P47989 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
IL2 P60568 1/20 0.42
PDE2A O00408 1/20 0.41

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
SCHEMBL14364257 0.81 IL2 (0.61) SMN1; SMN2ALDH1A1KDM4ENPC1POLB
SCHEMBL3405487 0.79 HTR2C (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1AGPAT2
SCHEMBL3401061 0.79 RORC (0.47) SMN1; SMN2ALDH1A1NPC1AGPAT2GAA
SCHEMBL981341 0.79 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL8239036 0.78 CHRNA7 (0.56) SMN1; SMN2ALDH1A1NPC1AGPAT2GAA
SCHEMBL3418888 0.77 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL979633 0.77 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL3399714 0.77 HTR2C (0.43) SMN1; SMN2ALDH1A1HPGD
SCHEMBL3405324 0.77 CHRM4 (0.51) ALDH1A1NPC1GAAPDE2A
SCHEMBL8867262 0.77 RAB9A (0.65) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1

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-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US claimed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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 SMN1; SMN2 4798/4885ALDH1A1 747/4885RAB9A 2135/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 SMN1; SMN2 4798/4885ALDH1A1 747/4885RAB9A 2135/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 SMN1; SMN2 4798/4885ALDH1A1 747/4885RAB9A 2135/4885

“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.