SCHEMBL12100717

SCHEMBL12100717

O=C(O)c1cc(NCC2CC2)n(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.49
ALDH1A1 P00352 1/20 0.47
KCNJ6 P48051 6/20 0.46
KCNJ3 P48549 6/20 0.46
KCNJ5 P48544 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
RIPK1 Q13546 1/20 0.43
PPP1CA P62136 1/20 0.42
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42
MCL1 Q07820 1/20 0.42
HIF1A Q16665 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL12100811 0.78 RPA1 (0.51) RPA1ALDH1A1L3MBTL1PPP1CABCL2
SCHEMBL12100441 0.76 ALDH1A1 (0.57) RPA1ALDH1A1L3MBTL1PPP1CABCL2
SCHEMBL12099955 0.76 RPA1 (0.49) RPA1ALDH1A1L3MBTL1RIPK1PPP1CA
SCHEMBL12099956 0.75 RPA1 (0.50) RPA1ALDH1A1L3MBTL1PPP1CABCL2
SCHEMBL12100261 0.74 ALDH1A1 (0.54) RPA1ALDH1A1L3MBTL1PPP1CABCL2
SCHEMBL2320792 0.74 RPA1 (0.49) RPA1ALDH1A1L3MBTL1PPP1CABCL2
SCHEMBL4704813 0.73 MAPT (0.60) RPA1ALDH1A1KCNJ6KCNJ3KCNJ5
SCHEMBL12100316 0.72 GAA (0.70) RPA1MEN1KMT2A
SCHEMBL12100454 0.72 RPA1 (0.47) RPA1ALDH1A1L3MBTL1PPP1CABCL2
SCHEMBL31587443 0.72 RPA1 (0.56) RPA1ALDH1A1L3MBTL1PPP1CABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459374-B Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SAI NUOFEI (FR) 2015-11-25 CN disclosed
US-8962671-B2 Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-02-24 US disclosed
US-8962671-B2 Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-02-24 US disclosed
US-8962671-B2 Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-02-24 US disclosed
EP-2668167-B1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-12-17 EP disclosed
CN-103459374-A Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI SA 2013-12-18 CN disclosed
EP-2668167-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 EP disclosed
US-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 US disclosed
US-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 US disclosed
US-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 US disclosed
WO-2012101199-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 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 (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-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE RPA1 3960/4885ALDH1A1 862/4885KCNJ6 3355/4885

“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.