SCHEMBL7420121

SCHEMBL7420121

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
SCHEMBL1000115 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
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed
US-20160251399-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2016-09-01 US disclosed
US-20160031936-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. 2016-02-04 US disclosed
US-9175047-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-8987414-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 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 (12 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-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR TLR2 2076/4885MDM2 3231/4885MDM4 4381/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS TLR2 3821/4885MDM2 164/4885MDM4 441/4885
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-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT KRAS, G3BP1, G3BP2 TLR2 4719/4885MDM2 47/4885MDM4 438/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR TLR2 2076/4885MDM2 3231/4885MDM4 4381/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS TLR2 4706/4885MDM2 30/4885MDM4 455/4885
US-20160251399-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L TLR2 1035/4885MDM2 2184/4885MDM4 1599/4885
US-20160031936-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 TLR2 3801/4885MDM2 1093/4885MDM4 2516/4885
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-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 TLR2 773/4885MDM2 2470/4885MDM4 2724/4885

“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.