SCHEMBL20592020

SCHEMBL20592020

C#CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20591996 0.87 SMN1; SMN2 (0.45) MEN1KMT2A
SCHEMBL4164534 0.86 MAPT (0.34) KMT2AMAPTHSD17B10
SCHEMBL17735975 0.85
SCHEMBL29478056 0.84
SCHEMBL8003191 0.81 KMT2A (0.41) MEN1KMT2AMAPTHSD17B10
SCHEMBL4953772 0.77 KMT2A (0.44) MEN1KMT2AMAPTHSD17B10
SCHEMBL17337909 0.77 KMT2A (0.48) MEN1KMT2ACYP1A2MAPTHSD17B10
SCHEMBL24725230 0.76 ALOX5 (0.38) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL31225892 0.76 TSHR (0.41)
SCHEMBL21049231 0.75 KMT2A (0.43) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680222-A1 N-BETA-HYDROXYBUTYRYL-AMINO ACIDS AND RELATED COMPOSITIONS AND METHODS The Board of Trustees of the Leland Stanford Junior University (US) 2026-01-21 EP disclosed
WO-2024192165-A1 N-BETA-HYDROXYBUTYRYL-AMINO ACIDS AND RELATED COMPOSITIONS AND METHODS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-09-19 WO disclosed
US-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 US disclosed
US-20210255193-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2021-08-19 US disclosed
US-20210255193-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2021-08-19 US disclosed
EP-3642630-A1 LYSINE REACTIVE PROBES AND USES THEREOF The Scripps Research Institute (US) 2020-04-29 EP disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 WO disclosed
WO-2018237334-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2018-12-27 WO disclosed
US-20180372751-A1 LYSINE REACTIVE PROBES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-27 US 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 (1 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 MEN1 969/4885KMT2A 2645/4885CYP1A2 2975/4885

“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.