SCHEMBL3159235

SCHEMBL3159235

C[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 5/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TBXAS1 P24557 2/20 0.35
RXRA P19793 1/20 0.34
NR4A2 P43354 1/20 0.34
LMNA P02545 1/20 0.33
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 2/20 0.31
PTPRA P18433 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MLYCD O95822 1/20 0.30
CPB2 Q96IY4 2/20 0.30
CYP3A4 P08684 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL3670921 1.00 APAF1 (0.40) APAF1POLBMAPTKDM4ERECQL
SCHEMBL3156583 1.00 APAF1 (0.40) APAF1POLBMAPTKDM4ERECQL
SCHEMBL12568355 0.86 MAP3K7 (0.30)
SCHEMBL6865358 0.86 MAP3K7 (0.30)
SCHEMBL12202544 0.86 MAP3K7 (0.30)
SCHEMBL10276318 0.84 EPHX1 (0.31)
SCHEMBL26211539 0.84 EPHX1 (0.31)
SCHEMBL14821547 0.84
SCHEMBL7433498 0.83 PTPRA (0.33) PTPRACPB2CYP3A4SLC7A5
SCHEMBL155265 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
WO-2023160112-A1 AZAPHILONE COMPOUND AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS 中国海洋大学 2023-08-31 WO disclosed
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-05-11 US disclosed
WO-2020224686-A1 A METHOD FOR FUNCTIONALIZATION OF AN AROMATIC AMINO ACID OR A NUCLEOBASE CF Plus Chemicals s.r.o. (CZ) 2020-11-12 WO disclosed
EP-3736269-A1 A METHOD FOR FUNCTIONALIZATION OF AN AROMATIC AMINO ACID OR A NUCLEOBASE CF Plus Chemicals s.r.o. (CZ) 2020-11-11 EP disclosed
US-20170305865-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2017-10-26 US disclosed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 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-20170305865-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS CTH, FTH1, TXN APAF1 4385/4885POLB 2904/4885MAPT 1988/4885
US-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 APAF1 366/4885POLB 1250/4885MAPT 4363/4885
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES HSPE1, TFAM, TNNI3 APAF1 366/4885POLB 1250/4885MAPT 4363/4885

“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.