SCHEMBL2317433

SCHEMBL2317433

CCOc1cc(C(=O)O)nn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.64
MCL1 Q07820 3/20 0.64
BCL2 P10415 2/20 0.64
KMT2A Q03164 4/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.55
RPA1 P27694 1/20 0.54
TP53 P04637 3/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL2320824 0.83 ALDH1A1 (0.59) MDM2MCL1BCL2KMT2AGAA
SCHEMBL2321564 0.82 CTSA (0.65) MDM2MCL1BCL2MAPTALDH1A1
SCHEMBL2325246 0.82 PDE4B (0.51) MDM2MCL1BCL2KMT2AGAA
SCHEMBL1143458 0.82 ALDH1A1 (0.56) MDM2MCL1BCL2KMT2AGAA
SCHEMBL2320792 0.81 RPA1 (0.49) MDM2MCL1BCL2KMT2AGAA
SCHEMBL2942428 0.80 KMT2A (0.45) MDM2MCL1BCL2KMT2AGAA
SCHEMBL952878 0.80 KMT2A (0.72) KMT2AGAAMAPTALDH1A1TP53
SCHEMBL24305908 0.78 MAPK1 (0.53) KMT2AGAAMAPTALDH1A1TP53
SCHEMBL15637415 0.78 CTSA (0.78)
SCHEMBL20268271 0.77 KMT2A (0.42) MDM2MCL1BCL2KMT2AGAA

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 MDM2 1756/4885MCL1 3009/4885BCL2 1522/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE MDM2 1756/4885MCL1 3009/4885BCL2 1522/4885

“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.