SCHEMBL14717457

SCHEMBL14717457

O=C(O)CC(NC(=O)c1csc(-c2cccc(Cl)c2)n1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.55
MAPT P10636 3/20 0.53
ATM Q13315 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TLR7 Q9NYK1 3/20 0.52
HPGDS O60760 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
CNR2 P34972 1/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL14662316 0.92 PIN1 (0.51) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14661926 0.89 PIN1 (0.67) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14716874 0.88 PIN1 (0.56) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14662481 0.85 MAPT (0.56) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14662483 0.85 MAPT (0.56) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14662318 0.84 PIN1 (0.49) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14661878 0.84 PANK3 (0.52) PIN1TLR7CNR2APLNRCTSA
SCHEMBL14717207 0.83 PIN1 (0.52) PIN1MAPTTLR7HPGDSTDP1
SCHEMBL14662703 0.82 PIN1 (0.52) PIN1MAPTATMNPSR1L3MBTL1
SCHEMBL14662374 0.81 PIN1 (0.53) PIN1HPGDSAPLNRCTSA

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
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
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 PIN1 2555/4885MAPT 3350/4885ATM 4430/4885

“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.