SCHEMBL6837445

SCHEMBL6837445

CCOC(=O)C[C@H](N)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
F2 P00734 3/20 0.44
F10 P00742 2/20 0.44
OPRD1 P41143 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.39
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL1138963 1.00 KDM4E (0.49) KDM4EALDH1A1HTTF2F10
SCHEMBL1138664 1.00 KDM4E (0.49) KDM4EALDH1A1HTTF2F10
SCHEMBL28418606 0.92 F2 (0.45) KDM4EALDH1A1HTTF2F10
SCHEMBL30644973 0.92 F2 (0.45) KDM4EALDH1A1HTTF2F10
SCHEMBL29113475 0.92 ALDH1A1 (0.44) KDM4EALDH1A1HTTF2F10
SCHEMBL31109306 0.92 ALDH1A1 (0.44) KDM4EALDH1A1HTTF2F10
SCHEMBL5720901 0.89 ALDH1A1 (0.40) KDM4EALDH1A1HTTF2F10
SCHEMBL6539360 0.88 KDM4E (0.48) KDM4EALDH1A1HTTF2F10
SCHEMBL6539362 0.88 KDM4E (0.48) KDM4EALDH1A1HTTF2F10
SCHEMBL1294884 0.87 ALDH1A1 (0.47) KDM4EALDH1A1HTTF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2667870-B1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-08-24 EP disclosed
US-9120783-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-09-01 US disclosed
US-9029559-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-05-12 US disclosed
US-20140194445-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-07-10 US disclosed
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-15 US disclosed
US-8669370-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-11 US disclosed
EP-2667870-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 EP disclosed
US-20120252809-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-04 US disclosed
WO-2012101197-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 WO disclosed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP 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-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV KDM4E 3014/4885ALDH1A1 829/4885HTT 2461/4885
US-20120252809-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV KDM4E 3014/4885ALDH1A1 829/4885HTT 2461/4885
US-20140194445-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV KDM4E 3014/4885ALDH1A1 829/4885HTT 2461/4885

“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.