SCHEMBL4640252

SCHEMBL4640252

CS(=O)(=O)OC[C@H]1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8709127 1.00 LMNA (0.41) LMNAPOLBALDH1A1SCN9ANPC1
SCHEMBL709307 1.00 LMNA (0.41) LMNAPOLBALDH1A1SCN9ANPC1
SCHEMBL419701 0.94 LMNA (0.46) LMNAPOLBALDH1A1SCN9ARAB9A
SCHEMBL16640 0.94 LMNA (0.46) LMNAPOLBALDH1A1SCN9ARAB9A
SCHEMBL709637 0.94 LMNA (0.46) LMNAPOLBALDH1A1SCN9ARAB9A
SCHEMBL20266437 0.88 LMNA (0.36) LMNAPOLBALDH1A1SCN9AKDM4E
SCHEMBL12747032 0.88 LMNA (0.36) LMNAPOLBALDH1A1SCN9AKDM4E
SCHEMBL2199578 0.82 ALDH1A1 (0.42) LMNAPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL10682980 0.81 CA2 (0.44) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL26687025 0.79 LMNA (0.49) LMNAPOLBALDH1A1SCN9ARAB9A

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
US-20230150994-A1 METHODS FOR SYNTHESIS OF CHK1 INHIBITORS SIERRA ONCOLOGY, INC. 2023-05-18 US disclosed
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 WO disclosed
US-5736549-A INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE, USED FOR TREATING OR PREVENTING TISSUE REJECTION OR SELECTIVE SUPPRESSION OF MAMMALIAN T-CELL FUNCTION CHIROSCIENCE LIMITED (GB) 1998-04-07 US disclosed
EP-0784624-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996011200-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP CHIROSCIENCE LIMITED (GB) 1996-04-18 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 (2 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-20230150994-A1 METHODS FOR SYNTHESIS OF CHK1 INHIBITORS CHEK1, CHEK2, CDC7 LMNA 1869/4885POLB 157/4885ALDH1A1 4400/4885
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 LMNA 1600/4885POLB 3746/4885ALDH1A1 146/4885

“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.