SCHEMBL17312903

SCHEMBL17312903

CC(C)[C@H](NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ FURIN P09958 9/20 0.39
▸ FOLH1 Q04609 2/20 0.38
▸ SSTR3 P32745 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ FAP Q12884 1/20 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
SCHEMBL26015668 1.00 HTR2A (0.40) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL25976125 0.93 HTR2A (0.39) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL17490581 0.92 HTR2A (0.39) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL23498015 0.92 HTR2A (0.39) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL23498013 0.92 HTR2A (0.39) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL25247251 0.91 HTR2A (0.43) HTR2AFURINSSTR3PDFALDH1A1
SCHEMBL30479875 0.91 HTR2A (0.43) HTR2AFURINSSTR3PDFALDH1A1
SCHEMBL22691442 0.90 FURIN (0.39) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL19731615 0.90 FURIN (0.39) HTR2AFURINFOLH1SSTR3PDF
SCHEMBL29678088 0.89 HTR2A (0.44) HTR2AFURINSSTR3PDFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150352219-A1 CONJUGATE COMPOUNDS VICTORIA LINK LIMITED (NZ) 2015-12-10 — — 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-20150352219-A1 CONJUGATE COMPOUNDS SGMS1, SGMS2, ENPP2 HTR2A 4549/4885FURIN 290/4885FOLH1 110/4885

“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.

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