SCHEMBL4402797

SCHEMBL4402797

CC(C)(C)Cc1cccc2sccc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 1/20 0.43
OPRM1 P35372 7/20 0.38
OPRK1 P41145 7/20 0.38
CYP2A6 P11509 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL3798556 0.79 CYP19A1 (0.46) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL3791450 0.76 CYP19A1 (0.51) CYP19A1TBXAS1OPRM1OPRK1CYP2A6
SCHEMBL73676 0.76 CYP2A6 (0.60) CYP2A6
SCHEMBL19203790 0.75 ICAM1 (0.42) CYP19A1TBXAS1
SCHEMBL2548724 0.75 CYP19A1 (0.34) CYP19A1TBXAS1OPRM1OPRK1CYP2A6
SCHEMBL2092142 0.75 CYP19A1 (0.46) CYP19A1TBXAS1OPRM1OPRK1CYP2A6
SCHEMBL30287240 0.75 CYP2A6 (0.59) CYP19A1TBXAS1OPRM1OPRK1CYP2A6
SCHEMBL3150232 0.75 CYP2A6 (0.59) CYP19A1TBXAS1OPRM1OPRK1CYP2A6
SCHEMBL506756 0.75 CYP2A6 (0.57) CYP19A1TBXAS1OPRM1OPRK1CYP2A6
SCHEMBL22627566 0.74 GABRA1 (0.47) CYP19A1TBXAS1OPRM1OPRK1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP19A1 1294/4885TBXAS1 573/4885OPRM1 4058/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP19A1 1294/4885TBXAS1 573/4885OPRM1 4058/4885

“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.