SCHEMBL4123409

SCHEMBL4123409

CN(Cc1nc(-c2cccnc2F)c(Sc2ccnc(Cl)c2)s1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
ROCK2 O75116 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MAPK14 Q16539 1/20 0.31
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL4118235 0.89 DHODH (0.37) DHODHROCK2MAPK14
SCHEMBL3652596 0.88 CACNA1G (0.34) ROCK2PDE10A
SCHEMBL4135549 0.88 DHODH (0.36) DHODHROCK2HDAC3HDAC4HDAC6
SCHEMBL4138886 0.87 DHODH (0.32) DHODHROCK2HDAC3HDAC4HDAC6
SCHEMBL3653706 0.87 DHODH (0.32) DHODHROCK2PTGDR2
SCHEMBL4137738 0.84 EDNRA (0.37) PTGDR2MAPK14
SCHEMBL3653891 0.84 ALDH1A1 (0.36) ROCK2PTGDR2
SCHEMBL4119012 0.83 LIPG (0.32) DHODHLIPCLIPG
SCHEMBL4123415 0.83 MAPK14 (0.34) DHODHROCK2PTGDR2MAPK14LIPC
SCHEMBL3653705 0.81 DHODH (0.33) DHODHROCK2PTGDR2MAPK14LIPC

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 DHODH 1560/4885ROCK2 2658/4885PTGDR2 1159/4885

“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.