SCHEMBL12100366

SCHEMBL12100366

CC(C)(C)C(=O)Nc1cc(C(=O)O)nn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
RXFP1 Q9HBX9 1/20 0.60
ALDH1A1 P00352 3/20 0.59
NTRK1 P04629 1/20 0.52
RPA1 P27694 1/20 0.51
MAPK13 O15264 7/20 0.51
MAPK12 P53778 7/20 0.51
MAPK11 Q15759 7/20 0.51
MAPK14 Q16539 7/20 0.51
JAK2 O60674 1/20 0.50
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4704813 0.84 MAPT (0.60) LMNAALDH1A1NTRK1RPA1MAPK13
SCHEMBL12100342 0.84 KMT2A (0.57) LMNARXFP1ALDH1A1GAATDP1
SCHEMBL18693864 0.83 ALDH1A1 (0.56) LMNAALDH1A1NTRK1RPA1MAPK13
SCHEMBL12100441 0.81 ALDH1A1 (0.57) LMNAALDH1A1NTRK1RPA1MAPK13
SCHEMBL12100316 0.80 GAA (0.70) LMNARPA1GAA
SCHEMBL12100369 0.79 KCNJ6 (0.71) NTRK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL12100773 0.78 CTSA (0.56)
SCHEMBL12100771 0.78 CTSA (0.56)
SCHEMBL12100807 0.77 RPA1 (0.50) LMNAALDH1A1NTRK1RPA1MAPK13
SCHEMBL12100261 0.76 ALDH1A1 (0.54) LMNAALDH1A1NTRK1RPA1MAPK13

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 LMNA 993/4885RXFP1 651/4885ALDH1A1 862/4885

“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.