SCHEMBL29339

SCHEMBL29339

COc1ccc(C[C@H](N)C(=O)O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
SLC7A5 Q01650 5/20 0.53
PTGS1 P23219 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX15 P16050 1/20 0.53
HTR2A P28223 1/20 0.53
PTGS2 P35354 1/20 0.53
RECQL P46063 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NR1I2 O75469 1/20 0.52
PPARG P37231 1/20 0.52
AGTR2 P50052 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL598291 1.00 LDHA (0.55) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL5973191 1.00 LDHA (0.55) LDHASLC7A5PTGS1KDM4EUSP2
Hydrochloric Acid SCHEMBL5973458 0.99 LDHA (0.54) LDHASLC7A5PTGS1KDM4EUSP2
Hydrochloric Acid SCHEMBL5973459 0.99 LDHA (0.54) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL23387524 0.87 ALDH1A1 (0.63) LDHAMEN1KMT2AALDH1A1PKM
SCHEMBL15105327 0.87 ALDH1A1 (0.63) LDHAMEN1KMT2AALDH1A1PKM
SCHEMBL30611530 0.87 ALDH1A1 (0.63) LDHAMEN1KMT2AALDH1A1PKM
Hydrochloric Acid SCHEMBL5369130 0.87 LDHA (0.54) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL159000 0.86 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL159001 0.86 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4364944-B2 2009-11-18 JP claimed
EP-0934065-B1 NOVEL CRYPTOPHYCIN DERIVATIVES AS ANTI-NEOPLASTIC AGENTS UNIV HAWAII (US) 2006-06-07 EP claimed
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 US claimed
JP-2002514175-A 2002-05-14 JP claimed
EP-0934065-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2000-10-11 EP claimed
EP-0934065-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-08-11 EP claimed
WO-1998008505-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 WO claimed
US-20230303625-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION RA PHARMACEUTICALS, INC. (US) 2023-09-28 US disclosed
US-11530244-B2 Cyclic polypeptides for PCSK9 inhibition MERCK SHARP & DOHME LLC (US) 2022-12-20 US disclosed
US-20210284694-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION MERCK SHARP & DOHME LLC 2021-09-16 US disclosed
WO-2012025464-A1 FLUORODEUTERIOMETHYL TYROSINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 WO disclosed
EP-0934065-B1 NOVEL CRYPTOPHYCIN DERIVATIVES AS ANTI-NEOPLASTIC AGENTS UNIV HAWAII (US) 2006-06-07 EP disclosed
EP-0830136-B1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2004-10-20 EP disclosed
WO-1998008505-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0735819-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 1997-03-19 EP disclosed
WO-1996039829-A9 NEW CRYPTOPHYCINS 1997-02-20 WO disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
WO-1996039829-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
EP-0735819-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-10-09 EP disclosed
WO-1995017093-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1995-06-29 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 (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-20210284694-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION PCSK9, LDLR, PCSK7 LDHA 3590/4885SLC7A5 3660/4885PTGS1 4052/4885
US-20230303625-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION PCSK9, LDLR, PCSK7 LDHA 3590/4885SLC7A5 3660/4885PTGS1 4052/4885
US-11530244-B2 Cyclic polypeptides for PCSK9 inhibition PCSK9, LDLR, PCSK7 LDHA 3590/4885SLC7A5 3660/4885PTGS1 4052/4885

“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.