SCHEMBL333933

SCHEMBL333933

CC(C)(C)OC(=O)NC1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 5/20 0.50
TP53 P04637 1/20 0.49
MGLL Q99685 1/20 0.49
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL334427 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL24648633 0.83 RAB9A (0.47) NPC1RAB9ASMN1; SMN2TP53CNR2
SCHEMBL28849876 0.83 PCSK9 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL22499902 0.82 TP53 (0.52) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL29689985 0.82 TP53 (0.52) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL28522357 0.82 LIPG (0.55) NPC1RAB9ASMN1; SMN2PPARA
SCHEMBL24225666 0.82 LIPG (0.55) NPC1RAB9ASMN1; SMN2PPARA
SCHEMBL29356417 0.82 LIPG (0.55) NPC1RAB9ASMN1; SMN2PPARA
SCHEMBL334527 0.80 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TP53MGLL
SCHEMBL27862701 0.80 NPC1 (0.67) 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 8 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
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.