SCHEMBL12100342

SCHEMBL12100342

CCOC(=O)c1cc(NC(=O)C(C)(C)C)n(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 3/20 0.56
MAPT P10636 4/20 0.54
RXFP1 Q9HBX9 2/20 0.53
TP53 P04637 3/20 0.52
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.50
STAT1 P42224 1/20 0.49
CA9 Q16790 1/20 0.48

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
SCHEMBL18694403 0.86 KMT2A (0.55) KMT2AGAALMNAMAPTRXFP1
SCHEMBL12100823 0.85 KMT2A (0.56) KMT2AGAALMNAMAPTRXFP1
SCHEMBL2835940 0.85 GAA (0.65) KMT2AGAALMNAMAPTTP53
SCHEMBL12100366 0.84 LMNA (0.61) GAALMNARXFP1TDP1ALDH1A1
SCHEMBL30304358 0.82 KMT2A (0.55) KMT2AGAALMNAMAPTRXFP1
SCHEMBL2838354 0.82 KMT2A (0.60) KMT2AGAALMNAMAPTRXFP1
SCHEMBL12100825 0.82 KMT2A (0.55) KMT2AGAALMNAMAPTRXFP1
SCHEMBL12100435 0.79 KMT2A (0.52) KMT2AGAALMNAMAPTRXFP1
SCHEMBL5397245 0.79 KMT2A (0.57) KMT2AGAALMNAMAPTTP53
SCHEMBL31377474 0.79 ALDH1A1 (0.68) KMT2AGAALMNAMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KMT2A 4182/4885GAA 66/4885LMNA 993/4885

“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.