SCHEMBL5328102

SCHEMBL5328102

Cn1cc(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
PTPN5 P54829 1/20 0.48
LMNA P02545 4/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 2/20 0.46
HTR2A P28223 1/20 0.46
HTT P42858 1/20 0.45
S1PR2 O95136 1/20 0.45

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
SCHEMBL26629478 0.82 SNCA (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL31498840 0.81 KDM4E (0.65) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4012453 0.81 KDM4E (0.65) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4208833 0.79 L3MBTL1 (0.63) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL23084313 0.78 KDM4E (0.59) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13062120 0.77 KDM4E (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL341492 0.76 GPR84 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8260034 0.76 GPR84 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29623334 0.76 GPR84 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20037279 0.76 KDM4E (0.52) MEN1KMT2AKDM4EMAPTALDH1A1

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-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-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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MEN1 2853/4885KMT2A 4422/4885KDM4E 4305/4885

“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.