SCHEMBL12415015

SCHEMBL12415015

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCC(=O)NCCCCCCCC=O)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
PPARG P37231 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
SLC6A4 P31645 8/20 0.55
SLC6A2 P23975 4/20 0.55
SLC6A3 Q01959 4/20 0.55
CHRM1 P11229 2/20 0.54
APLNR P35414 3/20 0.48
AVPR2 P30518 1/20 0.47
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
TGM2 P21980 1/20 0.45
AGTR1 P30556 1/20 0.44

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
SCHEMBL12415023 1.00 MEN1 (0.57) MEN1USP2POLBPPARGBLM
SCHEMBL12415012 0.93 MEN1 (0.63) MEN1USP2POLBPPARGBLM
SCHEMBL12311495 0.87 MEN1 (0.66) MEN1USP2POLBPPARGBLM
SCHEMBL14351071 0.85 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL13232606 0.85 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL1083752 0.84 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL15384907 0.84 MEN1 (0.60) MEN1USP2POLBPPARGBLM
SCHEMBL860877 0.84 MEN1 (0.72) MEN1USP2POLBPPARGBLM
SCHEMBL12415038 0.84 MEN1 (0.55) MEN1USP2POLBPPARGBLM
Water SCHEMBL3843902 0.83 MEN1 (0.67) MEN1USP2POLBPPARGBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165065-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKLINIKUM (DE) 2011-07-07 US disclosed
WO-2010017986-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS Eberhard-Karls-Universität Tübingen Universitätsklinikum (DE) 2010-02-18 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-20110165065-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS KLK3, ACP3, KLK5 MEN1 1284/4885USP2 2755/4885POLB 453/4885

“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.