SCHEMBL2321176

SCHEMBL2321176

COC(=O)c1cc(OC)n(-c2ccccc2F)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.57
CYP3A4 P08684 3/20 0.57
MME P08473 2/20 0.57
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MAPT P10636 1/20 0.40
P2RY1 P47900 1/20 0.40
FLT3 P36888 1/20 0.40
LMNA P02545 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
SCHEMBL2317415 0.88 CTSA (0.61) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL15682945 0.88 CTSA (0.55) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2319219 0.87 CTSA (0.48) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2318711 0.86 CTSA (0.54) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2316814 0.85 ALDH1A1 (0.43) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2320671 0.82 CTSA (0.62) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2319939 0.82 CTSA (0.62) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL25077979 0.80 CYP3A4 (0.43) CTSACYP3A4MMEALDH1A1CYP1A2
SCHEMBL14696263 0.78 CTSA (0.43) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL15636960 0.77 CTSA (0.79) CTSACYP3A4MME

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-2826772-A1 Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives SANOFI (FR) 2015-01-21 EP disclosed
EP-2528902-B1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-11-12 EP disclosed
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-08 US disclosed
US-8664257-B2 Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-04 US disclosed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 US disclosed
EP-2528902-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-12-05 EP disclosed
WO-2011092187-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2011-08-04 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-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE CTSA 10/4885CYP3A4 336/4885MME 258/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE CTSA 10/4885CYP3A4 336/4885MME 258/4885

“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.