SCHEMBL335880

SCHEMBL335880

OCCC1(N2CCCC2)CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.63
PPARG P37231 6/20 0.63
NPC1 O15118 8/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.52
PPARA Q07869 1/20 0.51
POLB P06746 1/20 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
SCHEMBL334550 0.81 PPARD (0.61) PPARDPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL24329835 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CYP2C9CYP3A4
SCHEMBL10221074 0.78 PPARD (1.00) PPARDPPARGCYP2C9CYP3A4PPARA
SCHEMBL14143749 0.77 PPARD (0.85) PPARDPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL10221080 0.77 PPARD (0.86) PPARDPPARGCYP2C9CYP3A4PPARA
SCHEMBL10221092 0.77 PPARD (1.00) PPARDPPARGCYP2C9CYP3A4PPARA
SCHEMBL10221163 0.77 PPARD (1.00) PPARDPPARGCYP2C9CYP3A4PPARA
SCHEMBL10221161 0.77 PPARD (0.84) PPARDPPARGCYP2C9CYP3A4PPARA
SCHEMBL334871 0.77 PPARD (0.69) PPARDPPARGCYP2C9CYP3A4PPARA
SCHEMBL10221110 0.76 PPARD (1.00) PPARDPPARGCYP2C9CYP3A4PPARA

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
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-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
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US 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 3/4885NPC1 1742/4885

“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.