SCHEMBL13638152

SCHEMBL13638152

O=CCC1CCCn2c1c(Sc1ccc(C(F)(F)F)cc1)c1c(S)ccnc12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 19/20 0.61
TBXA2R P21731 17/20 0.61
PDE2A O00408 3/20 0.45

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
SCHEMBL991078 0.76 PTGDR (1.00) PTGDRTBXA2RPDE2A
SCHEMBL13317687 0.69 PTGDR (0.75) PTGDRTBXA2RPDE2A
SCHEMBL12923781 0.68 TBXA2R (0.80) PTGDRTBXA2R
SCHEMBL14401191 0.65 TBXA2R (0.73) PTGDRTBXA2R
SCHEMBL14449868 0.64 PTGDR (1.00) PTGDRTBXA2RPDE2A
SCHEMBL991127 0.64 TBXA2R (1.00) PTGDRTBXA2RPDE2A
SCHEMBL14401271 0.64 PTGDR (0.85) PTGDRTBXA2RPDE2A
SCHEMBL990454 0.64 TBXA2R (1.00) PTGDRTBXA2RPDE2A
SCHEMBL13176193 0.59 PTGDR (0.81) PTGDRTBXA2R
SCHEMBL24460563 0.54 ALDH1A1 (0.55) PDE2A

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
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-02-26 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-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment FFAR1, HCAR1, GPR119 PTGDR 527/4885TBXA2R 68/4885PDE2A 1281/4885

“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.