SCHEMBL2955812

SCHEMBL2955812

CC1(N2CCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.66
PRKCG P05129 5/20 0.66
PRKCB P05771 5/20 0.66
PRKCA P17252 5/20 0.66
PRKCH P24723 5/20 0.66
PRKCI P41743 5/20 0.66
PRKCE Q02156 5/20 0.66
PRKCQ Q04759 5/20 0.66
PRKCZ Q05513 5/20 0.66
PRKCD Q05655 5/20 0.66
PRKD1 Q15139 5/20 0.66
CYP3A4 P08684 4/20 0.66
PRKACA P17612 4/20 0.66
PRKACG P22612 4/20 0.66
PRKACB P22694 4/20 0.66
ADORA3 P0DMS8 2/20 0.66
CYP2C19 P33261 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP1A2 P05177 1/20 0.66
ROCK2 O75116 12/20 0.61

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
SCHEMBL2902584 0.85 CYP3A4 (0.72) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL29770053 0.84 ROCK2 (0.77) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2962437 0.84 KMT2A (0.64) SMN1; SMN2MEN1KMT2ATP53TSHR
SCHEMBL10988523 0.83 ROCK2 (0.79) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL10985139 0.82 ROCK2 (0.77) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL6916059 0.82 ROCK2 (0.77) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL26584304 0.82 ROCK2 (0.77) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL13497829 0.81 ROCK2 (0.68) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL10983918 0.81 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL9617961 0.81 ROCK2 (0.77) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 PRKD3 954/4885PRKCG 1646/4885PRKCB 1650/4885

“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.