SCHEMBL3246405

SCHEMBL3246405

FC(F)(F)c1ccc(N[C]=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.47
EPHX2 P34913 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
CDK1 P06493 1/20 0.41
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
MIF P14174 1/20 0.40
TGM2 P21980 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.38

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
SCHEMBL11413359 0.80
SCHEMBL5548188 0.77 KIF11 (0.47) KIF11EPHX2CA1CA2TRPV1
SCHEMBL423701 0.77 EPHX2 (0.52) KIF11EPHX2CA1CA2TRPV1
SCHEMBL28287838 0.77 KIF11 (0.47) KIF11EPHX2CA1CA2CA12
SCHEMBL338150 0.77 MAPT (0.41) ALDH1A1
SCHEMBL5208376 0.75 MAPT (0.54) KIF11CA1CA12MMP2RAB9A
SCHEMBL3483047 0.73 IDO1 (0.40) CA12MMP2MIFTGM2ALDH1A1
SCHEMBL1921455 0.72 EPHX2 (0.56) KIF11EPHX2CA1CA2RAB9A
SCHEMBL394422 0.72 EPHX2 (0.56) KIF11EPHX2CA1CA2RAB9A
SCHEMBL63468 0.71 ALDH1A1 (0.67) KIF11EPHX2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 KIF11 4190/4885EPHX2 3859/4885CA1 2629/4885

“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.