SCHEMBL2118353

SCHEMBL2118353

CC(C)(C)Oc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.68
SLC7A5 Q01650 4/20 0.57
PTGS1 P23219 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
GRB2 P62993 1/20 0.53
ACACB O00763 1/20 0.52
TPH1 P17752 3/20 0.49
ALOX15 P16050 3/20 0.49
HIF1A Q16665 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL1258519 1.00 PTPN1 (0.68) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL2867832 1.00 PTPN1 (0.68) PTPN1SLC7A5PTGS1ALPIPKM
Hydrochloric Acid SCHEMBL2309162 0.98 PTPN1 (0.67) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL17658724 0.89 PTPN1 (0.54) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL14945062 0.88 PTPN1 (0.74) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL4946473 0.87 PTPN1 (0.52) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL4946470 0.87 PTPN1 (0.52) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL16080173 0.84 ACACB (0.50) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL2058886 0.84 ACACB (0.53) PTPN1ITGB3ITGA2BACACBPTGS2
SCHEMBL2311151 0.84 ACACB (0.50) PTPN1SLC7A5PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024316-A 2, 4-binitro-6-phenyl-phenylthio protecting group and polypeptide synthesis method thereof 南开大学 2023-11-10 CN claimed
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC. 2018-12-13 US claimed
EP-2722051-A1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus Seattle Genetics, Inc. (US) 2014-04-23 EP claimed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US claimed
EP-1922345-A2 PROCESS FOR THE PREPARATION OF COPOLYMER-1 Chan, Wai Hong (US) 2008-05-21 EP claimed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP claimed
US-20070141663-A1 Process for the preparation of copolymer-1 DING JINGUO 2007-06-21 US claimed
WO-2007022193-A2 PROCESS FOR THE PREPARATION OF COPOLYMER-1 CHAN WAI HONG (US) 2007-02-22 WO claimed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO claimed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 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-0370382-A2 Urea dipeptide derivatives with a renin-inhibiting activity, process to produce them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 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-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP claimed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 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 (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-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP PTPN1 4207/4885SLC7A5 50/4885PTGS1 4600/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS PTPN1 4124/4885SLC7A5 39/4885PTGS1 4602/4885

“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.