SCHEMBL799720

SCHEMBL799720

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.60
KMT2A Q03164 2/20 0.52
MDM4 O15151 2/20 0.52
TP53 P04637 2/20 0.52
EPHX2 P34913 1/20 0.49
PIN1 Q13526 1/20 0.48
MDM2 Q00987 1/20 0.46

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
SCHEMBL29356434 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29375252 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30307097 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120703 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178791 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29423588 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31697682 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
Hydrochloric Acid SCHEMBL6779156 0.99 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
Fluoride SCHEMBL7158848 0.99 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29068310 0.95 CASP3 (0.64) 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
US-20240116972-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS SOUTHERN RES INST (US) 2024-04-11 US disclosed
US-11858956-B2 6-aza-nucleoside prodrugs as antiviral agents for treating virus infections SOUTHERN RESEARCH INSTITUTE (US) 2024-01-02 US disclosed
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE KYOTO UNIVERSITY (JP) 2023-06-08 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20220204545-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS OREGON HEALTH AND SCIENCE UNIVERSITY 2022-06-30 US disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 US disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed
EP-1202961-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES Novartis AG (CH) 2002-05-08 EP disclosed
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 US 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
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 WO disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 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 (8 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-20220204545-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS MTAP, GALE, TPMT CASP3 372/4885KMT2A 536/4885MDM4 192/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CASP3 3906/4885KMT2A 3145/4885MDM4 441/4885
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CASP3 343/4885KMT2A 4608/4885MDM4 3559/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS CASP3 3268/4885KMT2A 4757/4885MDM4 1294/4885
US-20240116972-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS MTAP, GALE, TPMT CASP3 372/4885KMT2A 536/4885MDM4 192/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 CASP3 2306/4885KMT2A 4395/4885MDM4 4154/4885
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE IAPP, SPPL2B, VIP CASP3 2595/4885KMT2A 4043/4885MDM4 1478/4885
US-11858956-B2 6-aza-nucleoside prodrugs as antiviral agents for treating virus infections MTAP, GALE, TPMT CASP3 372/4885KMT2A 536/4885MDM4 192/4885

“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.