SCHEMBL1000115

SCHEMBL1000115

CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.62
MDM2 Q00987 6/20 0.59
MDM4 O15151 2/20 0.56
TP53 P04637 2/20 0.56
CASP3 P42574 1/20 0.53
TNF P01375 2/20 0.53

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
SCHEMBL29382791 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL29398487 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL30645689 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL1044856 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL29503829 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL7420121 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL29367120 1.00 TLR2 (0.62) TLR2MDM2MDM4TP53CASP3
SCHEMBL14996025 0.96 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL14497949 0.96 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL30802520 0.96 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
EP-4618952-A2 METHODS FOR TREATING OBESITY WITH AN MC4R AGONIST Rhythm Pharmaceuticals, Inc. (US) 2025-09-24 EP disclosed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
EP-4509517-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-19 EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 EP disclosed
US-5191015-A Solid phase synthesis on crosslinked polymer, removal of crosslinks to solubilize MEDICAL RESEARCH COUNCIL (GB) 1993-03-02 US disclosed
EP-0204374-B1 TRIPEPTIDIC COMPOUNDS HAVING HYPOTENSIVE ACTIVITY POLIFARMA S.p.A. (IT) 1992-12-30 EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed
US-5051404-A Tripeptides of pyroglutamic acid, proline, tryptophan, phenylalanine or tyrosine and a natural aminoacid ENIRICERCHE, S.P.A. (IT) 1991-09-24 US disclosed
EP-0394318-A1 POLYMERS AND POLYMER-PEPTIDE CONJUGATES MEDICAL RESEARCH COUNCIL (GB) 1990-10-31 EP disclosed
EP-0205209-B1 DECAPEPTIDES HAVING HYPOTENSIVE ACTION AND PROCESS FOR THEIR PREPARATION ENIRICERCHE S.p.A. (IT) 1989-11-29 EP disclosed
WO-1989005305-A1 POLYMERS AND POLYMER-PEPTIDE CONJUGATES 3I RESEARCH EXPLOITATION LIMITED (GB) 1989-06-15 WO disclosed
US-4810779-A Decapeptides having hypotensive action and process for their preparation ENICHEM ELASTOMERI S.P.A. (IT) 1989-03-07 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 (5 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 TLR2 2904/4885MDM2 1513/4885MDM4 2629/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS TLR2 4706/4885MDM2 30/4885MDM4 455/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS TLR2 4706/4885MDM2 30/4885MDM4 455/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS TLR2 3821/4885MDM2 164/4885MDM4 441/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS TLR2 3196/4885MDM2 85/4885MDM4 1577/4885

“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.