SCHEMBL4650144

SCHEMBL4650144

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.64
ACE P12821 2/20 0.62
MME P08473 1/20 0.62
CPA1 P15085 1/20 0.62
ACE2 Q9BYF1 1/20 0.62
GPR132 Q9UNW8 2/20 0.61
PPARA Q07869 3/20 0.57
CTSS P25774 5/20 0.55
CTSK P43235 4/20 0.55
CTSB P07858 3/20 0.55
GPR34 Q9UPC5 2/20 0.54
BCL2 P10415 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
YAP1 P46937 1/20 0.53
CTSL P07711 1/20 0.53
PPARG P37231 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
SCHEMBL2552297 1.00 PTPN1 (0.64) PTPN1ACEMMECPA1ACE2
SCHEMBL31407708 1.00 PTPN1 (0.64) PTPN1ACEMMECPA1ACE2
SCHEMBL7709696 0.91 PTPN1 (0.55) PTPN1ACEMMECPA1ACE2
SCHEMBL20905733 0.91 PTPN1 (0.55) PTPN1ACEMMECPA1ACE2
SCHEMBL2353808 0.91 KLK5 (0.59) PTPN1ACEMMECPA1ACE2
SCHEMBL2353801 0.91 KLK5 (0.59) PTPN1ACEMMECPA1ACE2
Dalfampridine SCHEMBL7549358 0.90 GPR132 (0.59) PTPN1ACEMMECPA1ACE2
SCHEMBL6775535 0.90 ACE (0.60) PTPN1ACEMMECPA1ACE2
SCHEMBL6775303 0.90 ACE (0.60) PTPN1ACEMMECPA1ACE2
SCHEMBL6775305 0.90 ACE (0.60) PTPN1ACEMMECPA1ACE2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
US-20210285955-A1 METHODS AND REAGENTS FOR ANALYZING PROTEIN-PROTEIN INTERFACES WARP DRIVE BIO, INC. 2021-09-16 US disclosed
US-20200199102-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
WO-2014124757-A1 PYRROLOTRIAZINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-08-21 WO disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
US-7323585-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-01-29 US disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP 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 (3 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 PTPN1 827/4885ACE 1944/4885MME 1044/4885
US-20210285955-A1 METHODS AND REAGENTS FOR ANALYZING PROTEIN-PROTEIN INTERFACES FKBP8, PIN1, FKBP1A PTPN1 644/4885ACE 3402/4885MME 3830/4885
US-20200199102-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF PIN1, FKBP14, FKBP2 PTPN1 1225/4885ACE 4201/4885MME 3867/4885

“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.