SCHEMBL2959369

SCHEMBL2959369

Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](N)c2ccccc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.51
PGR P06401 11/20 0.48
NR3C2 P08235 11/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ATM Q13315 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL7617103 1.00 NR3C1 (0.51) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL2956892 1.00 NR3C1 (0.51) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL7523866 1.00 NR3C1 (0.51) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL990146 1.00 NR3C1 (0.51) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL2959368 1.00 NR3C1 (0.51) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL197733 1.00 NR3C1 (0.51) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL7613156 0.99 NR3C1 (0.50) NR3C1PGRNR3C2L3MBTL1LMNA
Benzene SCHEMBL4861506 0.99 NR3C1 (0.50) NR3C1PGRNR3C2L3MBTL1LMNA
Benzene SCHEMBL4862993 0.99 NR3C1 (0.50) NR3C1PGRNR3C2L3MBTL1LMNA
SCHEMBL4855041 0.97 NR3C1 (0.49) NR3C1PGRNR3C2L3MBTL1LMNA

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
EP-1751111-B1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AISSAOUI HAMED 2010-10-07 US disclosed
US-7763638-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-27 US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 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 (2 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-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES CYP4B1, RECQL, NQO1 NR3C1 2314/4885PGR 1975/4885NR3C2 1546/4885
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives CPT1A, NQO1, COQ8A NR3C1 2216/4885PGR 3033/4885NR3C2 2274/4885

“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.