SCHEMBL1062090

SCHEMBL1062090

N[C@@H](Cc1cc2ccccc2s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
ASIC3 Q9UHC3 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
S1PR4 O95977 2/20 0.52
S1PR5 Q9H228 2/20 0.52
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
AGXT P21549 1/20 0.49
BCL2L1 Q07817 1/20 0.47
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46
ADRB2 P07550 1/20 0.45
SLC9A1 P19634 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL514507 1.00 CYP2A6 (0.53) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL4626056 1.00 CYP2A6 (0.53) CYP2A6ASIC3LOXL2S1PR4S1PR5
Trifluoroacetic Acid SCHEMBL6161390 0.92 S1PR4 (0.46) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL16461209 0.85 CYP2A6 (0.58) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL5323216 0.85 CYP2A6 (0.50) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL2032875 0.82 CYP2A6 (0.50) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL2030629 0.82 CYP2A6 (0.50) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL7026459 0.81 AGXT (0.49) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL26987594 0.79 NNMT (0.54) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL27130058 0.79 NNMT (0.54) CYP2A6ASIC3LOXL2S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059235-A1 CYCLIC PEPTIDE ANTIVIRAL AGENTS AND METHODS USING SAME UNIV DREXEL (US) 2025-02-20 US claimed
CN-117529489-A Bicyclic peptide ligands specific for NK cells 拜斯科技术开发有限公司 2024-02-06 CN claimed
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US claimed
US-20230355708-A1 COMPOSITIONS FOR INHIBITING VIRAL ENTRY AND METHODS USING SAME UNIV DREXEL (US) 2023-11-09 US claimed
EP-4225378-A1 REACTIVE CONJUGATES Debiopharm Research & Manufacturing S.A. (CH) 2023-08-16 EP claimed
US-20230046947-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-02-16 US claimed
EP-4069311-A1 REACTIVE CONJUGATES Debiopharm Research & Manufacturing SA (CH) 2022-10-12 EP claimed
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same UNIV DREXEL (US) 2022-06-30 US claimed
WO-2022079031-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2022-04-21 WO claimed
WO-2022078566-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2022-04-21 WO claimed
EP-0394853-A1 Dipeptide-derivatives with enzym-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 EP claimed
EP-0394829-A1 Renin-inhibiting dipeptides, process to synthetize them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 EP claimed
EP-0373497-A2 Dipeptide derivatives with an enzyme-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP claimed
EP-0372537-A2 Urea derivatives of dipeptides with enzyme-inhibiting properties, process to make them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-13 EP claimed
EP-0370383-A2 Renin-inhibiting dipeptides, process to make them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0333071-A2 Polypeptides, methods for their preparation, pharmaceutical compositions comprising them and use Eisai Co., Ltd. (JP) 1989-09-20 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
US-4855286-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US claimed
EP-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP claimed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP claimed

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-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same ZC3HAV1, VIP, LNPEP CYP2A6 4771/4885ASIC3 2611/4885LOXL2 4665/4885
US-20230046947-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A CYP2A6 2039/4885ASIC3 3664/4885LOXL2 3572/4885
US-20250059235-A1 CYCLIC PEPTIDE ANTIVIRAL AGENTS AND METHODS USING SAME ZC3HAV1, VIP, LNPEP CYP2A6 4771/4885ASIC3 2611/4885LOXL2 4665/4885
US-20230355708-A1 COMPOSITIONS FOR INHIBITING VIRAL ENTRY AND METHODS USING SAME GALNT1, GALNT2, LGALS1 CYP2A6 3819/4885ASIC3 3475/4885LOXL2 1887/4885
US-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A CYP2A6 2050/4885ASIC3 3509/4885LOXL2 3658/4885

“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.