SCHEMBL13062413

SCHEMBL13062413

O=CC(Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)n1cc(COc2ccc3nc(S)sc3c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
GHSR Q92847 4/20 0.39
ECE1 P42892 2/20 0.39
PTPN1 P18031 4/20 0.39
CCKBR P32239 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL13078237 1.00 CTSL (0.48) CTSLGHSRECE1PTPN1CCKBR
SCHEMBL13078235 0.90 CTSL (0.43) CTSLGHSRECE1CCKBRMAOA
SCHEMBL13062320 0.90 CTSL (0.43) CTSLGHSRECE1CCKBRMAOA
SCHEMBL13042341 0.81 CA2 (0.47) GHSRCCKBRMAOAMAOBKMT2A
SCHEMBL13078309 0.80 PTGS2 (0.44) PTPN1MEN1KMT2APTGS2
SCHEMBL13012690 0.79 MAPT (0.45) CCKBRKMT2AEGFR
SCHEMBL14615271 0.79 MAPT (0.45) CCKBRKMT2AEGFR
SCHEMBL13062084 0.79 PTGS2 (0.40) MEN1KMT2APTGS2
SCHEMBL13062411 0.78 IDE (0.40) MAOBPTGS2
SCHEMBL13062085 0.78 IL1RN (0.43) PTPN1MAOBPTGS2

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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 CTSL 2515/4885GHSR 2124/4885ECE1 286/4885

“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.