SCHEMBL18113003

SCHEMBL18113003

CC1(C)OB(c2ccc(NS(=O)(=O)C3CC3)cc2F)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
KIT P10721 7/20 0.41
BRPF1 P55201 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
OPRM1 P35372 6/20 0.38
CYP17A1 P05093 1/20 0.37
MAP2K4 P45985 1/20 0.37

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
SCHEMBL19521293 0.85 EPHX2 (0.42) BRD4BRPF1CA12CA1CA2
SCHEMBL18112985 0.84 CYP17A1 (0.48) BRD4KITBRPF1CA12CA1
SCHEMBL16015104 0.83 CA1 (0.44) KITCA12CA1CA2CA3
SCHEMBL19748468 0.81 BRD4 (0.39) BRD4BRPF1CA12CA1CA2
SCHEMBL5198232 0.79 CA1 (0.64) BRD4BRPF1CA12CA1CA2
SCHEMBL1075440 0.77 OPRM1 (0.46) BRD4KITBRPF1CA12CA1
SCHEMBL29703832 0.75 EGFR (0.38) CA12CA1CA2CA3CA4
SCHEMBL20091532 0.75 EGFR (0.38) CA12CA1CA2CA3CA4
SCHEMBL24747207 0.75 BACE1 (0.46)
SCHEMBL29891118 0.75 BACE1 (0.46)

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-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 WO disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 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-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES STK4, STK3, STK11 BRD4 695/4885KIT 557/4885BRPF1 2578/4885

“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.