SCHEMBL806465

SCHEMBL806465

COc1cc(S)c(CN)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
CYP1A2 P05177 1/20 0.40
PTGS2 P35354 1/20 0.39
ACHE P22303 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CA9 Q16790 1/20 0.38
CYP19A1 P11511 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PTAFR P25105 2/20 0.34

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
SCHEMBL13437324 0.82 PTGS2 (0.50) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL13402844 0.78 GAA (0.41) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL13402248 0.78 PTGS2 (0.37) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL20082884 0.77 AOC3 (0.38) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL28127826 0.75 KDM4E (0.52) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL28207417 0.74 ACHE (0.48) HTR2AHTR2CHTR2BCYP1A2PTGS2
SCHEMBL806463 0.71 ALDH1A1 (0.42) PTGS2CYP3A4MAPTKDM4EPOLB
SCHEMBL111191 0.69 HTR2A (0.69) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL11442618 0.68 HTR2A (0.43) HTR2AHTR2CHTR2BCYP1A2PTGS2
SCHEMBL16326683 0.67 MAPT (0.40) PTGS2CYP3A4MAPTKDM4EPOLB

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 6 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-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

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 HTR2A 4756/4885HTR2C 4769/4885HTR2B 4835/4885

“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.