SCHEMBL20523693

SCHEMBL20523693

CCCS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LPL P06858 6/20 0.34
LIPG Q9Y5X9 6/20 0.34
BRAF P15056 5/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21630377 0.90 BRD4 (0.41) BRD4CA1CA2CA9CA12
SCHEMBL21630428 0.85 CYP3A4 (0.40) BRD4CA1CA2CA9CA12
SCHEMBL20523722 0.85 RIPK2 (0.39) BRD4CA1CA2CA9CA12
SCHEMBL30673279 0.83 NOD2 (0.38) BRD4CA1CA2CA9CA12
SCHEMBL21630361 0.81 RIPK2 (0.38) BRD4CA1CA2CA9CA12
SCHEMBL21630380 0.80 CA1 (0.44) BRD4CA1CA2CA9CA12
SCHEMBL28556859 0.80 GSK3A (0.40) BRD4CA1CA2CA9CA12
SCHEMBL21630366 0.78 CA1 (0.41) BRD4CA1CA2CA9CA12
SCHEMBL21630373 0.77 HIF1A (0.49) BRD4CA1CA2CA9CA12
SCHEMBL21630375 0.76 RIPK2 (0.41) BRD4CA1CA2CA9CA12

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-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 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 (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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 BRD4 2174/4885CA1 4123/4885CA2 2082/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 BRD4 2174/4885CA1 4123/4885CA2 2082/4885

“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.