SCHEMBL20523635

SCHEMBL20523635

CCCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 17/20 1.00
RIPK2 O43353 17/20 0.75
ACVR1 Q04771 16/20 0.73
NOD1 Q9Y239 1/20 0.65
TGFBR1 P36897 2/20 0.62
BMPR1A P36894 1/20 0.62
ACVRL1 P37023 1/20 0.62

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
SCHEMBL20523452 0.86 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL20523626 0.85 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL20523447 0.85 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL21630430 0.84 ACVR1 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL20523489 0.83 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL21630444 0.80 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL20523451 0.80 NOD2 (0.91) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL21630435 0.79 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL20523609 0.79 NOD2 (0.65) NOD2RIPK2ACVR1NOD1TGFBR1
SCHEMBL20523619 0.78 NOD2 (1.00) NOD2RIPK2ACVR1NOD1TGFBR1

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