SCHEMBL14717228

SCHEMBL14717228

O=C(O)CC(Cc1ccccc1)NC(=O)c1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.56
PANK3 Q9H999 1/20 0.55
CTSA P10619 6/20 0.54
MME P08473 1/20 0.47
HTR2C P28335 3/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
HPGDS O60760 1/20 0.45
FFAR2 O15552 2/20 0.44
MMEL1 Q495T6 1/20 0.44
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14717964 0.93 CTSA (0.54) TLR7PANK3CTSAMMEHTR2C
SCHEMBL14662637 0.90 PANK3 (0.50) TLR7PANK3CTSAMMEHTR2C
SCHEMBL14661952 0.88 PANK3 (0.49) TLR7PANK3CTSAMMEHTR2C
SCHEMBL14662209 0.85 CTSA (0.70) CTSAMMEHPGDSMMEL1TDP1
SCHEMBL14717573 0.85 HPGDS (0.62) TLR7CTSAHPGDSMMEL1TDP1
SCHEMBL14662356 0.84 CTSA (0.54) CTSAMMEHPGDSMMEL1TDP1
SCHEMBL14717230 0.84 MAPT (0.58) TLR7CTSAMMEHPGDSMMEL1
SCHEMBL14717139 0.83 MAPT (0.59) TLR7CTSAMMEHPGDSMMEL1
SCHEMBL14662167 0.82 CTSA (0.64) TLR7PANK3CTSA
SCHEMBL14662164 0.82 CTSA (0.64) TLR7PANK3CTSA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827098-B The 3-(thiazole-4-carbonyl)-replaced or 3-(thiazole-2-carbonyl)-alanine derivatives and the purposes as medicine thereof 赛诺菲 2016-06-15 CN claimed
EP-2736891-B1 SUBSTITUTED 3-(THIAZOLE-4-CARBONYL)- OR 3-(THIAZOLE-2-CARBONYL)- AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-04-20 EP claimed
US-9174952-B2 Substituted 3-thiazoloamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-11-03 US claimed
US-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 US claimed
CN-103827098-B The 3-(thiazole-4-carbonyl)-replaced or 3-(thiazole-2-carbonyl)-alanine derivatives and the purposes as medicine thereof 赛诺菲 2016-06-15 CN disclosed
EP-2736891-B1 SUBSTITUTED 3-(THIAZOLE-4-CARBONYL)- OR 3-(THIAZOLE-2-CARBONYL)- AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-04-20 EP disclosed
US-9174952-B2 Substituted 3-thiazoloamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-11-03 US disclosed
WO-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 WO disclosed
US-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 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 (1 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-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSK TLR7 1949/4885PANK3 2517/4885CTSA 11/4885

“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.