SCHEMBL334847

SCHEMBL334847

CCC1(CC(=O)OC)CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.60
PPARG P37231 7/20 0.60
PPARA Q07869 3/20 0.60
NPC1 O15118 8/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL333946 0.84 PPARD (0.60) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334550 0.83 PPARD (0.61) PPARDPPARGPPARANPC1RAB9A
SCHEMBL4637175 0.81 PPARD (0.66) PPARDPPARGPPARACYP2C9
SCHEMBL334711 0.81 PPARD (0.85) PPARDPPARGPPARACYP2C9
SCHEMBL4637215 0.77 NPC1 (0.61) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334547 0.76 PPARD (1.00) PPARDPPARGPPARACYP2C9
SCHEMBL14143657 0.75 PPARD (0.62) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334376 0.74 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4637640 0.73 NPC1 (0.60) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10271419 0.73 RAB9A (0.48) PPARDPPARGPPARANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
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
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 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-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.