SCHEMBL1689645

SCHEMBL1689645

OC/C=C(\F)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
GSK3B P49841 2/20 0.40
BCL2L1 Q07817 1/20 0.40
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HTT P42858 1/20 0.37
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.36
SRD5A2 P31213 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
SCHEMBL1689646 1.00 CES2 (0.41) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL1689750 0.84 GSK3B (0.43) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL1689753 0.84 GSK3B (0.43) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL9052487 0.79 BCL2L1 (0.55) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL1689698 0.77 TSHR (0.44) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL1689701 0.77 TSHR (0.44) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL1689702 0.77 TSHR (0.44) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL73190 0.76 CES2 (0.44) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL9516877 0.76 PTGS1 (0.47) CES2CES1GSK3BBCL2L1TSHR
SCHEMBL10951770 0.76 PTGS1 (0.47) CES2CES1GSK3BBCL2L1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515969-B2 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2017-10-11 EP disclosed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
EP-1515969-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2010-08-25 EP disclosed
US-20060106045-A1 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2006-05-18 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 (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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 CES2 2624/4885CES1 2920/4885GSK3B 3481/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 CES2 2393/4885CES1 2991/4885GSK3B 3096/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 CES2 2624/4885CES1 2920/4885GSK3B 3481/4885

“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.