SCHEMBL790317

SCHEMBL790317

COc1ccc(C(N)CS)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ADRA1A P35348 3/20 0.46
ADRA2A P08913 2/20 0.46
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
APLNR P35414 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
CYP1A1 P04798 1/20 0.42

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
SCHEMBL11658602 0.84 ADRA1A (0.56) CA12CA1CA2CA7CA9
SCHEMBL15490529 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL789023 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL806607 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL18995540 0.81 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL266621 0.80 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL11399910 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL18995295 0.79 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7002429 0.79 HTR2A (0.46) CA12CA1CA2CA7CA9
SCHEMBL5192232 0.78 CYP2D6 (0.59) CA12CA1CA2CA7CA9

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
EP-2800756-B1 PEPTIDE C ALPHA-AMIDES, METHODS FOR PREPARING SAME AND USES THEREOF AS PRECURSORS OF PEPTIDE C ALPHA-THIOESTERS FOR PROTEIN SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2018-04-25 EP disclosed
US-9249181-B2 C-terminal amidation of polypeptides AMYLIN PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-9249181-B2 C-terminal amidation of polypeptides AMYLIN PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-9249181-B2 C-terminal amidation of polypeptides AMYLIN PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20140058070-A1 C-TERMINAL AMIDATION OF POLYPEPTIDES AstraZeneca Pharmaceuticala LP (US) 2014-02-27 US disclosed
US-20140058070-A1 C-TERMINAL AMIDATION OF POLYPEPTIDES AstraZeneca Pharmaceuticala LP (US) 2014-02-27 US disclosed
US-20140058070-A1 C-TERMINAL AMIDATION OF POLYPEPTIDES AstraZeneca Pharmaceuticala LP (US) 2014-02-27 US disclosed
WO-2012036962-A2 C-TERMINAL AMIDATION OF POLYPEPTIDES AMYLIN PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
WO-2012036962-A2 C-TERMINAL AMIDATION OF POLYPEPTIDES AMYLIN PHARMACEUTICALS, INC. (US) 2012-03-22 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-20140058070-A1 C-TERMINAL AMIDATION OF POLYPEPTIDES IAPP, SELENOI, SCLY CA12 613/4885CA1 792/4885CA2 3862/4885

“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.