SCHEMBL119043

SCHEMBL119043

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.57
KMT2A Q03164 2/20 0.54
MDM4 O15151 2/20 0.54
TP53 P04637 2/20 0.54
EPHX2 P34913 1/20 0.51
MDM2 Q00987 2/20 0.48

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
SCHEMBL26160451 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29446045 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29356265 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29401309 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29564442 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29349978 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178736 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29508222 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29446029 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119044 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159461-B Synthesis method of cetrorelix 开封明仁药业有限公司 2023-03-10 CN claimed
CN-112159461-A Synthesis method of cetrorelix 开封明仁药业有限公司 2021-01-01 CN claimed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-102702327-B Solid-liquid phase synthesis method for alarelin acetate GL BIOCHEM SHANGHAI CO LTD 2013-10-30 CN claimed
EP-4618952-A2 METHODS FOR TREATING OBESITY WITH AN MC4R AGONIST Rhythm Pharmaceuticals, Inc. (US) 2025-09-24 EP disclosed
US-12098218-B2 Process for the manufacture of degarelix and its intermediates Fresenius Kabi iPSUM S.r.l (IT) 2024-09-24 US disclosed
CN-114920804-B Cetrorelix synthesis process capable of being directly used for pilot scale amplification 厦门胜泽泰医药科技有限公司 2024-07-30 CN disclosed
WO-2024108198-A2 METHODS OF TREATING OBESITY WITH AN MC4R AGONIST RHYTHM PHARMACEUTICALS, INC. (US) 2024-05-23 WO disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
US-20230293716-A1 ELASTASE-SUBSTRATE, PEPTIDE LINKER IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-09-21 US disclosed
EP-3810129-B1 PCSK9 ANTAGONIST BICYCLO-COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
US-20020049180-A1 Compositions and methods for treating neoplastic disease using chemotherapy and radiation sensitizers WU BIN (US) 2002-04-25 US disclosed
WO-2001096523-A2 POLYNUCLEOTIDES RELATED TO COLON CANCER CHIRON CORPORATION (US) 2001-12-20 WO disclosed
WO-2001091739-A2 COMPOSITIONS AND METHODS FOR TREATING NEOPLASTIC DISEASE USING CHEMOTHERAPY AND RADIATION SENSITIZERS CHIRON CORPORATION (US) 2001-12-06 WO disclosed
CN-1309634-A Hydrazine derivs. HOFFMANN LA ROCHE (CH) 2001-08-22 CN disclosed
WO-2001010827-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-02-15 WO 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 (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-20230293716-A1 ELASTASE-SUBSTRATE, PEPTIDE LINKER IMMUNOCONJUGATES, AND USES THEREOF SERPINB1, ELANE, CELA1 CASP3 2109/4885KMT2A 4374/4885MDM4 2298/4885
US-12098218-B2 Process for the manufacture of degarelix and its intermediates ANPEP, DNPEP, NPPA CASP3 3415/4885KMT2A 1638/4885MDM4 123/4885

“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.