SCHEMBL4581168

SCHEMBL4581168

CS(=O)(=O)c1cccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
PRKCQ Q04759 3/20 0.41
EML4 Q9HC35 1/20 0.40
ALK Q9UM73 1/20 0.40
PRKCD Q05655 2/20 0.40
CTSC P53634 7/20 0.39
CTSK P43235 5/20 0.39
SGK1 O00141 1/20 0.38
CTSS P25774 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
FASN P49327 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PIM1 P11309 1/20 0.36
BRD4 O60885 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
SCHEMBL4579724 0.81 PGR (0.50) PRKCQPRKCDHSP90AA1PIM1
SCHEMBL4582021 0.80 HSP90AA1 (0.52) EML4ALKHSP90AA1
SCHEMBL4580296 0.79 PIM1 (0.44) PRKCQPRKCDHSP90AA1PIM1
SCHEMBL4580711 0.77 HSP90AA1 (0.45) PRKCQPRKCDSGK1HSP90AA1
SCHEMBL4580882 0.77 HSP90AA1 (0.46) PRKCQPRKCDHSP90AA1
SCHEMBL4580648 0.76 PRKCQ (0.43) PRKCQPRKCDSGK1HSP90AA1
SCHEMBL14252710 0.76 PRKCQ (0.43) PRKCQPRKCDSGK1HSP90AA1PIM1
SCHEMBL4582583 0.76 PRKCQ (0.44) PRKCQPRKCDHSP90AA1
SCHEMBL4579980 0.75 KDM4E (0.48) PRKCQPRKCDHSP90AA1
SCHEMBL4579571 0.74 KMT2A (0.45) PRKCQPRKCDCTSKCTSSHSP90AA1

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 NR1H2 681/4885PRKCQ 4430/4885EML4 1867/4885

“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.