SCHEMBL20523722

SCHEMBL20523722

CCCS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.39
NOD2 Q9HC29 2/20 0.39
ACVR1 Q04771 1/20 0.39
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
BRD4 O60885 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
BRAF P15056 6/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21630361 0.90 RIPK2 (0.38) RIPK2NOD2ACVR1CA1CA2
SCHEMBL21630445 0.87 RIPK2 (0.38) RIPK2NOD2ACVR1CA1CA2
SCHEMBL31285510 0.87 RIPK2 (0.38) RIPK2NOD2ACVR1CA1CA2
SCHEMBL21630354 0.86 RIPK2 (0.42) RIPK2NOD2ACVR1CA1CA2
SCHEMBL20523693 0.85 BRD4 (0.37) CA1CA2CA9CA12CA3
SCHEMBL20523498 0.84 HSD17B10 (0.35) RIPK2NOD2ACVR1CA1CA2
SCHEMBL30673279 0.81 NOD2 (0.38) RIPK2NOD2ACVR1CA1CA2
SCHEMBL26849884 0.80 RIPK2 (0.39) RIPK2NOD2ACVR1BRD4BRAF
SCHEMBL21630377 0.80 BRD4 (0.41) CA1CA2CA9CA12CA3
SCHEMBL21630371 0.80 ALDH1A1 (0.36) RIPK2NOD2ACVR1CA1CA2

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 RIPK2 1/4885NOD2 3/4885ACVR1 8/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 RIPK2 1/4885NOD2 3/4885ACVR1 8/4885

“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.