SCHEMBL8771380

SCHEMBL8771380

CC(C)(C)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.56
PRKD3 O94806 7/20 0.56
PRKCG P05129 7/20 0.56
PRKCB P05771 7/20 0.56
PRKCA P17252 7/20 0.56
PRKCH P24723 7/20 0.56
PRKCI P41743 7/20 0.56
PRKCE Q02156 7/20 0.56
PRKCQ Q04759 7/20 0.56
PRKCZ Q05513 7/20 0.56
PRKCD Q05655 7/20 0.56
PRKD1 Q15139 7/20 0.56
CYP2D6 P10635 6/20 0.56
NFKB1 P19838 4/20 0.56
GLA P06280 1/20 0.56
LMNA P02545 4/20 0.55
PMP22 Q01453 2/20 0.55
PRKACA P17612 5/20 0.54
PRKACG P22612 5/20 0.54
PRKACB P22694 5/20 0.54

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
SCHEMBL13677595 0.83 CYP3A4 (0.58) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL6967362 0.82 CYP3A4 (0.59) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL8828469 0.81 PRKD3 (0.61) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL5000637 0.80 PRKD3 (0.63) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL29546384 0.79 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL115053 0.79 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL29696494 0.79 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL1551138 0.79 CA1 (0.61) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL117745 0.79 CYP3A4 (0.56) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL30075444 0.79 CA1 (0.61) CYP3A4PRKD3PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20120129189-A1 Methods of Controlling Cell Proliferation THE J. DAVID GLADSTONE INSTITUTES 2012-05-24 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 CYP3A4 1969/4885PRKD3 393/4885PRKCG 443/4885

“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.