SCHEMBL4119012

SCHEMBL4119012

CN(Cc1cc(-c2cccnc2F)c(Sc2ccnc(Cl)c2)s1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.32
LIPC P11150 1/20 0.31
DHODH Q02127 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4119122 0.88 AR (0.33) LIPGLIPCDHODHGSK3BDYRK1A
SCHEMBL3652323 0.88 L3MBTL1 (0.31) DHODHDYRK1AL3MBTL1
SCHEMBL3654926 0.88 HTR2C (0.34)
SCHEMBL3804241 0.87 ALDH1A1 (0.32)
SCHEMBL4125110 0.85 AR (0.32) LIPGDYRK1AL3MBTL1
SCHEMBL4131192 0.85 CTSD (0.34) DYRK1A
SCHEMBL4123409 0.83 DHODH (0.34) LIPGLIPCDHODH
SCHEMBL4120659 0.83 EDNRA (0.38) DHODHGSK3BDYRK1A
SCHEMBL3804239 0.83
SCHEMBL3799051 0.82 ALDH1A1 (0.35) DHODHDYRK1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 LIPG 2467/4885LIPC 83/4885DHODH 1560/4885

“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.