SCHEMBL334455

SCHEMBL334455

OCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
PPARG P37231 6/20 0.59
PPARD Q03181 6/20 0.59
PPARA Q07869 5/20 0.59
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL10219750 0.90 CNR2 (0.51) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL10219837 0.90 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL335645 0.89 NPC1 (0.64) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL10219814 0.86 NPC1 (0.67) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL10219764 0.85 TP53 (0.61) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL10219756 0.85 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10219755 0.85 RAB9A (0.64) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL14143866 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL1729140 0.83 PPARG (0.60) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL10219769 0.83 PPARG (0.51) NPC1RAB9ASMN1; SMN2PPARGPPARD

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 10 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-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
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
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 NPC1 1742/4885RAB9A 1784/4885SMN1; SMN2 4505/4885

“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.