SCHEMBL3608334

SCHEMBL3608334

Cc1cc(C)c(NS(N)(=O)=O)c(C)c1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.41
F11 P03951 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.34
ACE P12821 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL3612584 0.92 XIAP (0.42) XIAPF11MEN1KMT2ARORC
SCHEMBL3603491 0.86 XIAP (0.38) XIAP
SCHEMBL3613507 0.84 XIAP (0.43) XIAPF11MEN1KMT2AACE
SCHEMBL3598720 0.84 XIAP (0.45) XIAPF11MEN1KMT2AACE
SCHEMBL3612848 0.83 XIAP (0.47) XIAPF11MEN1KMT2A
SCHEMBL3609009 0.83 XIAP (0.42) XIAPF11MEN1KMT2ARORC
SCHEMBL3608895 0.83 XIAP (0.40) XIAPF11RORCACEPPARG
SCHEMBL3612013 0.82 XIAP (0.41) XIAPF11MEN1KMT2AACE
SCHEMBL3612495 0.81 XIAP (0.50) XIAPF11MEN1KMT2AACE
SCHEMBL3610934 0.80 GHSR (0.43) XIAPF11RORCACE

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT XIAP 934/4885F11 4805/4885MEN1 4401/4885

“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.