SCHEMBL20523489

SCHEMBL20523489

CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 16/20 1.00
ACVR1 Q04771 16/20 1.00
RIPK2 O43353 15/20 1.00
NOD1 Q9Y239 1/20 0.84
TGFBR1 P36897 3/20 0.71

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
SCHEMBL20523451 0.95 NOD2 (0.91) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL21630430 0.92 ACVR1 (1.00) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL21630435 0.92 NOD2 (1.00) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL20523499 0.91 NOD2 (1.00) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL20523667 0.91 NOD2 (1.00) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL20523577 0.91 NOD2 (0.84) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL20523447 0.91 NOD2 (1.00) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL20523618 0.85 NOD2 (0.84) NOD2ACVR1RIPK2NOD1
SCHEMBL21630444 0.85 NOD2 (1.00) NOD2ACVR1RIPK2NOD1TGFBR1
SCHEMBL31285446 0.84 NOD2 (0.73) NOD2ACVR1RIPK2NOD1TGFBR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272061-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. 2023-08-31 US disclosed
US-20230272061-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. 2023-08-31 US disclosed
US-20230018729-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. 2023-01-19 US disclosed
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
US-11136386-B2 Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A) PROMETHEUS BIOSCIENCES, INC. (US) 2021-10-05 US disclosed
US-20210277477-A1 METHODS OF TREATING REFRACTORY INFLAMMATORY DISEASE USING TRANSCRIPTOMIC AND GENETIC RISK SIGNATURES CEDARS-SINAI MEDICAL CENTER 2021-09-09 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
US-20210101988-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES CEDARS-SINAI MEDICAL CENTER 2021-04-08 US disclosed
US-20210079473-A1 METHODS AND SYSTEMS FOR CHARACTERIZING SEVERE CROHN'S DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-03-18 US disclosed
WO-2020232125-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. (US) 2020-11-19 WO disclosed
US-20200362025-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES CEDARS-SINAI MEDICAL CENTER 2020-11-19 US disclosed
WO-2020139748-A1 METHODS OF TREATING INFLAMMATORY BOWEL DISEASES THAT TARGET RIPK2 CEDARS-SINAI MEDICAL CENTER (US) 2020-07-02 WO 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
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 (7 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-20200362025-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 NOD2 4679/4885ACVR1 1819/4885RIPK2 4403/4885
US-20230272061-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 NOD2 4679/4885ACVR1 1819/4885RIPK2 4403/4885
US-20230018729-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 NOD2 4679/4885ACVR1 1819/4885RIPK2 4403/4885
US-20210101988-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 NOD2 4679/4885ACVR1 1819/4885RIPK2 4403/4885
US-11136386-B2 Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A) LTA, TLL1, TNF NOD2 568/4885ACVR1 551/4885RIPK2 2417/4885
US-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 NOD2 3/4885ACVR1 8/4885RIPK2 1/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 NOD2 3/4885ACVR1 8/4885RIPK2 1/4885

“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.