SCHEMBL232001

SCHEMBL232001

CC(C)(C)OC(=O)CC(C#N)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP2D6 P10635 1/20 0.35
FFAR1 O14842 3/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL21656174 0.87 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EHTTCTSS
SCHEMBL5323828 0.86 KMT2A (0.53) KMT2AALDH1A1HTTCTSSCTSK
SCHEMBL14996085 0.85 CTSS (0.48) KMT2AALDH1A1CTSSCTSKTDP1
SCHEMBL8903295 0.80 ALDH1A1 (0.38) KMT2AALDH1A1HTTFFAR1LMNA
SCHEMBL21656333 0.77 KMT2A (0.39) KMT2AALDH1A1KDM4EHTTCTSS
SCHEMBL21656570 0.76 CTSL (0.43) KMT2AALDH1A1CTSSCTSKFFAR1
SCHEMBL21656331 0.75 KMT2A (0.54) KMT2AFFAR1TDP1
SCHEMBL17203999 0.75 CTSS (0.35) KMT2AALDH1A1KDM4EHTTCTSS
SCHEMBL30502337 0.73 CTSS (0.40) KMT2ACTSSCTSKADRB2ADRB1
SCHEMBL21656173 0.73 ALDH1A1 (0.44) KMT2AALDH1A1CTSSCTSKESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648038-B2 (2-aryloxyacetylamino)phenylpropionic acid derivatives, processes for preparation thereof and use thereof as medicaments SANOFI (FR) 2014-02-11 US disclosed
US-20120004167-A1 (2-ARYLOXYACETYLAMINO) PHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI (FR) 2012-01-05 US 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-20120004167-A1 (2-ARYLOXYACETYLAMINO) PHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS GPR119, DPP9, DPP7 KMT2A 3285/4885ALDH1A1 91/4885KDM4E 1967/4885

“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.