SCHEMBL10220342

SCHEMBL10220342

O=C(O)COc1ccc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.59
PPARG P37231 8/20 0.53
PPARA Q07869 5/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.53
CYP2C9 P11712 1/20 0.53
ACHE P22303 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL10220339 0.92 PPARD (0.61) PPARDPPARGPPARARAB9ANPC1
SCHEMBL334520 0.91 PPARD (0.63) PPARDPPARGPPARARAB9ANPC1
SCHEMBL10220233 0.89 PPARD (0.66) PPARDPPARGPPARARAB9ANPC1
SCHEMBL10220114 0.88 PPARD (0.55) PPARDPPARGPPARARAB9ANPC1
SCHEMBL10220347 0.87 PPARD (0.63) PPARDPPARGPPARARAB9ANPC1
SCHEMBL10220344 0.87 PPARD (0.73) PPARDPPARGPPARARAB9ANPC1
SCHEMBL10220380 0.87 PPARD (0.67) PPARDPPARGPPARARAB9ANPC1
SCHEMBL10220247 0.86 PPARD (0.63) PPARDPPARGPPARARAB9ANPC1
SCHEMBL335656 0.85 NPC1 (0.59) PPARDPPARGPPARARAB9ANPC1
SCHEMBL334781 0.85 PPARD (0.56) PPARDPPARGPPARARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARD 1/4885PPARG 3/4885PPARA 2/4885

“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.