SCHEMBL13340958

SCHEMBL13340958

CC(C)c1ccc2c(c1)S(=O)(=O)C(C)(C)C(=O)N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.39
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RNASEH1 O60930 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL13340967 0.84 SLC9A1 (0.35) NR1H3OPRK1OPRM1OPRL1PDK1
SCHEMBL13340959 0.81 OPRK1 (0.34) NR1H3OPRK1OPRM1OPRL1LMNA
SCHEMBL16601583 0.80 PKM (0.42) OPRK1OPRM1OPRL1LMNATSHR
SCHEMBL13962151 0.78 CASP3 (0.42) CA12CA2CA4CA7CA9
SCHEMBL16283452 0.75 CA2 (0.62) NR1H3OPRK1OPRM1OPRL1CA12
SCHEMBL13924055 0.74 CA2 (0.51) LMNACA12CA2CA4CA7
SCHEMBL15341796 0.73 OPRM1 (0.48) NR1H3OPRK1OPRM1OPRL1LMNA
SCHEMBL8738570 0.73 PDE3B (0.46) NR1H3OPRK1OPRM1OPRL1LMNA
SCHEMBL2705714 0.72 MAOA (0.44) NR1H3OPRK1OPRM1OPRL1LMNA
SCHEMBL23612444 0.71 LMNA (0.47) NR1H3OPRK1OPRM1OPRL1LMNA

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-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 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 (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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ NR1H3 2925/4885OPRK1 1685/4885OPRM1 4298/4885

“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.