SCHEMBL20179710

SCHEMBL20179710

CC(C)(C)C(=O)Oc1ccc2c(c1)C(=O)CCCS2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
VHL P40337 1/20 0.40
ELOC Q15369 1/20 0.40
ELOB Q15370 1/20 0.40
RYR2 Q92736 1/20 0.39
CA2 P00918 3/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20165113 0.90 KDM4E (0.53) ELANEMEN1KMT2AKDM4EHTT
SCHEMBL20165128 0.82 KDM4E (0.63) ELANEMEN1KMT2AKDM4EHTT
SCHEMBL29756838 0.82 KDM4E (0.63) ELANEMEN1KMT2AKDM4EHTT
SCHEMBL10050651 0.80 KDM4E (0.45) ELANEMEN1KMT2AKDM4EHTT
SCHEMBL7222447 0.79 KDM4E (0.63) KDM4EHTTVHLELOCELOB
SCHEMBL19132364 0.79 MAOA (0.50) ELANEMEN1KMT2A
SCHEMBL11735810 0.76 MAOA (0.54) ELANEMEN1KMT2A
SCHEMBL19132617 0.76 MAOA (0.50) ELANEMEN1KMT2A
SCHEMBL20165279 0.74 VHL (0.51) KDM4EHTTVHLELOCELOB
SCHEMBL10050688 0.73 KDM4E (0.48) ELANEMEN1KMT2AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof SANOFI (FR) 2022-06-30 US disclosed
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2021-10-19 US disclosed
US-20200361918-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-11-19 US disclosed
WO-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 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-20200361918-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF ESR1, CYP19A1, ESR2 ELANE 2364/4885MEN1 4105/4885KMT2A 1252/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 ELANE 2492/4885MEN1 4086/4885KMT2A 1216/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 ELANE 2242/4885MEN1 3947/4885KMT2A 1127/4885

“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.