SCHEMBL20523673

SCHEMBL20523673

COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(Br)cnc2N)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.59
NOD2 Q9HC29 7/20 0.59
ACVR1 Q04771 7/20 0.59
SHMT2 P34897 1/20 0.42
NPC1 O15118 1/20 0.42
FGFR1 P11362 2/20 0.40
FYN P06241 2/20 0.39
TGFBR1 P36897 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL20523521 0.90 RIPK2 (0.59) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL20523672 0.89 RIPK2 (0.60) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL21630376 0.88 RIPK2 (0.47) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL20523655 0.87 RIPK2 (0.46) RIPK2NOD2ACVR1SHMT2MEN1
SCHEMBL23290074 0.87 ACVR1 (0.57) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL23290073 0.85 ACVR1 (0.51) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL23290086 0.82 ACVR1 (0.48) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL21630368 0.82 RIPK2 (0.60) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL20523527 0.81 RIPK2 (0.61) RIPK2NOD2ACVR1SHMT2NPC1
SCHEMBL20523488 0.79 ACVR1 (0.44) RIPK2NOD2ACVR1SHMT2NPC1

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.