SCHEMBL6805224

SCHEMBL6805224

CC(C)(C)OC(=O)NC(=O)C12CCC(CN)(CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
AOC2 O75106 2/20 0.30
ADORA1 P30542 1/20 0.30
CTSS P25774 2/20 0.30

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
SCHEMBL7184587 0.78 CYP4F2 (0.35)
SCHEMBL27390294 0.78 MEN1 (0.38) CTSLAPLNRTDP1MAOBMAOA
SCHEMBL22604486 0.78 HCRTR2 (0.41) APLNRTDP1TSHRMAOBMAOA
SCHEMBL23842466 0.78 MEN1 (0.38) CTSLAPLNRTDP1MAOBMAOA
Methylamine SCHEMBL6804391 0.77 CYP4F2 (0.34)
SCHEMBL13157085 0.72 THRB (0.33) TSHRKMT2A
SCHEMBL8254109 0.71 HCRTR2 (0.39) CTSLTDP1TSHRMAOBMAOA
SCHEMBL30970108 0.70 HCRTR2 (0.38) CTSLTDP1TSHRMAOBMAOA
SCHEMBL29318901 0.70 HCRTR2 (0.38) CTSLTDP1TSHRMAOBMAOA
SCHEMBL22291484 0.69 FOLH1 (0.39) CTSLAPLNRTDP1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058857-A1 Method of treating cancer YAO SIU-LONG (US) 2004-03-25 US disclosed
EP-1009420-B1 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO INC (US) 2003-12-17 EP disclosed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-6127333-A COMPRISING OLIGOPEPTIDES, HAVING AMINO ACID SEQUENCES THAT ARE SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN AND KNOWN CYTOTOXIC AGENTS, CHARACTERIZED BY A DIAMINE LINKER BETWEEN THE OLIGOPEPTIDE AND VINBLASTINE MERCK & CO., INC. (US) 2000-10-03 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 (3 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-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 CTSL 770/4885APLNR 452/4885NFKB1 952/4885
US-20040058857-A1 Method of treating cancer KLK3, SHBG, ACP3 CTSL 859/4885APLNR 563/4885NFKB1 1272/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 CTSL 623/4885APLNR 156/4885NFKB1 2544/4885

“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.