SCHEMBL6322783

SCHEMBL6322783

COc1cc(CN(CCN(S)C(=O)Nc2ccc(Cl)cc2)C(=O)C(C)C)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
TSHR P16473 3/20 0.47
RAF1 P04049 4/20 0.46
MAP2K1 Q02750 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
APP P05067 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
PPARG P37231 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6322780 0.85 TRPM8 (0.49) TRPM8RAF1MAP2K1MEN1KMT2A
SCHEMBL6324716 0.83 TRPM8 (0.47) TRPM8TSHRRAF1MAP2K1MEN1
SCHEMBL14463914 0.80 TRPM8 (0.60) TRPM8TSHRRAF1MAP2K1MEN1
SCHEMBL6327346 0.79 TRPM8 (0.51) TRPM8RAF1MAP2K1MEN1KMT2A
SCHEMBL6327033 0.78 TRPM8 (0.72) TRPM8RAF1MAP2K1MEN1KMT2A
SCHEMBL6648580 0.77 TRPM8 (0.49) TRPM8RAF1MAP2K1MEN1KMT2A
SCHEMBL6327342 0.77 TRPM8 (0.49) TRPM8RAF1MAP2K1MEN1KMT2A
SCHEMBL6324719 0.76 TRPM8 (0.49) TRPM8RAF1MAP2K1MEN1KMT2A
SCHEMBL14463942 0.75 TRPM8 (0.73) TRPM8TSHRRAF1MAP2K1MEN1
SCHEMBL6326223 0.74 TRPM8 (0.56) TRPM8RAF1MAP2K1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228017-A1 Novel anticancer compounds MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE 2005-10-13 US disclosed
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP disclosed
WO-2003037865-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-05-08 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-20050228017-A1 Novel anticancer compounds TP53, ABCG2, MCL1 TRPM8 2570/4885TSHR 4831/4885RAF1 660/4885

“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.