SCHEMBL2320792

SCHEMBL2320792

O=C(O)c1cc(OCC2CC2)n(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.49
MME P08473 1/20 0.48
CYP3A4 P08684 1/20 0.48
CTSA P10619 1/20 0.48
MDM2 Q00987 5/20 0.47
MCL1 Q07820 4/20 0.47
BCL2 P10415 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPP1CA P62136 1/20 0.42
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
MGLL Q99685 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
SCHEMBL2319196 0.84 CTSA (0.65) MMECYP3A4CTSAALDH1A1MAPT
SCHEMBL2318376 0.83 CYP3A4 (0.52) MMECYP3A4CTSA
SCHEMBL2317433 0.81 MDM2 (0.64) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL19128398 0.78 KMO (0.40) MMECYP3A4CTSA
SCHEMBL2320824 0.76 ALDH1A1 (0.59) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL1143458 0.75 ALDH1A1 (0.56) RPA1CTSAMDM2MCL1BCL2
SCHEMBL12099956 0.75 RPA1 (0.50) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL952471 0.74 P2RY12 (0.61)
SCHEMBL952468 0.74 P2RY12 (0.61)
SCHEMBL12100717 0.74 RPA1 (0.49) RPA1MDM2MCL1BCL2ALDH1A1

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 RPA1 4448/4885MME 258/4885CYP3A4 336/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE RPA1 4448/4885MME 258/4885CYP3A4 336/4885

“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.