SCHEMBL2701020

SCHEMBL2701020

NC(=O)NCc1ccc([C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
RECQL P46063 1/20 0.46
TPSAB1 Q15661 6/20 0.44
PRSS1 P07477 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1006377 0.83 CYP2C9 (0.42) CYP2C9CYP2C19TPSAB1PRSS1KMT2A
SCHEMBL6563716 0.83 CYP2C9 (0.59) CYP2C9CYP2C19RECQLCA1CA2
SCHEMBL3497836 0.81 KMT2A (0.59) KMT2APOLB
SCHEMBL626651 0.78 TPSAB1 (0.70) CYP2C9CYP2C19RECQLTPSAB1PRSS1
SCHEMBL27589884 0.78 CYP2C9 (0.68) CYP2C9CYP2C19RECQLTPSAB1PRSS1
SCHEMBL8245710 0.78 CYP2C9 (0.68) CYP2C9CYP2C19RECQLTPSAB1PRSS1
SCHEMBL8139643 0.78 CYP2C9 (0.68) CYP2C9CYP2C19RECQLTPSAB1PRSS1
SCHEMBL27288503 0.76 EPHX2 (0.64) KMT2AMEN1CA1CA2EPHX2
SCHEMBL22466338 0.76 CYP2C9 (0.66) CYP2C9CYP2C19RECQLTPSAB1PRSS1
SCHEMBL20715702 0.76 CYP2C9 (0.66) CYP2C9CYP2C19RECQLTPSAB1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR CYP2C9 3076/4885CYP2C19 1536/4885RECQL 4369/4885

“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.