SCHEMBL3602362

SCHEMBL3602362

Cc1cc(C)c(NS(C)(=O)=O)c(C)c1NC(=O)C1c2cc(N(C)C)ccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.33
RORC P51449 1/20 0.33
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 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
Hydrochloric Acid SCHEMBL3611881 0.99 XIAP (0.32) XIAPRORCKMT2A
SCHEMBL3612584 0.87 XIAP (0.42) XIAPRORCKMT2A
SCHEMBL3608852 0.86 CYP3A4 (0.37) XIAPHDAC6
SCHEMBL3602396 0.79 F11 (0.33) XIAPKMT2AHDAC6
SCHEMBL3608334 0.79 XIAP (0.41) XIAPRORCKMT2A
SCHEMBL3609009 0.79 XIAP (0.42) XIAPRORCKMT2A
SCHEMBL3608895 0.79 XIAP (0.40) XIAPRORC
Hydrochloric Acid SCHEMBL3606880 0.78 F11 (0.33) XIAPKMT2AHDAC6
SCHEMBL3608726 0.77 F11 (0.36) KMT2AHDAC6
SCHEMBL3610934 0.76 GHSR (0.43) XIAPRORC

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 4 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 claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
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 934/4885RORC 488/4885KMT2A 343/4885

“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.