SCHEMBL21630352

SCHEMBL21630352

COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCN(C(=O)O)CC4)cc3)cnc2Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 13/20 0.64
RIPK2 O43353 11/20 0.64
NOD2 Q9HC29 11/20 0.64
TGFBR1 P36897 5/20 0.45
MAP4K1 Q92918 1/20 0.39
FYN P06241 2/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL21630442 0.91 NOD2 (0.54) ACVR1RIPK2NOD2TGFBR1MAP4K1
SCHEMBL20523500 0.91 ACVR1 (0.62) ACVR1RIPK2NOD2TGFBR1MAP4K1
SCHEMBL21630382 0.89 NOD2 (0.63) ACVR1RIPK2NOD2TGFBR1TP53
SCHEMBL21630387 0.89 ACVR1 (0.51) ACVR1RIPK2NOD2TGFBR1FYN
SCHEMBL21630433 0.87 NOD2 (0.65) ACVR1RIPK2NOD2TGFBR1
SCHEMBL20523519 0.78 ACVR1 (1.00) ACVR1RIPK2NOD2TGFBR1FYN
SCHEMBL20523524 0.78 ACVR1 (1.00) ACVR1RIPK2NOD2TGFBR1
SCHEMBL20523534 0.76 NOD2 (0.82) ACVR1RIPK2NOD2TGFBR1
SCHEMBL20523650 0.75 KMT2A (0.47) ACVR1TGFBR1FYNMAPT
SCHEMBL20523655 0.73 RIPK2 (0.46) ACVR1RIPK2NOD2SMN1; SMN2

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-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
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US 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 ACVR1 8/4885RIPK2 1/4885NOD2 3/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 ACVR1 8/4885RIPK2 1/4885NOD2 3/4885

“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.