SCHEMBL4906531

SCHEMBL4906531

Cc1sc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc1CCO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SCN9A Q15858 8/20 0.48
LIPE Q05469 4/20 0.45
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4906341 0.90 LMNA (0.47) LMNASCN9ALIPETHRBMAPT
SCHEMBL4899851 0.83 LMNA (0.47) LMNASCN9ALIPEMAPTMAPK1
SCHEMBL968444 0.83 NPC1 (0.49) MAPT
SCHEMBL1437058 0.79 MAPT (0.40) MAPTNPSR1
SCHEMBL876080 0.78 LIPE (0.57) LMNASCN9ALIPETHRBMAPT
SCHEMBL3375358 0.77 PPARA (0.52) LMNAMAPT
SCHEMBL4902365 0.77 IDO1 (0.42) LMNASCN9ALIPEMAPTBRD4
SCHEMBL4466375 0.76 NPC1 (0.47) MAPT
SCHEMBL3368282 0.74 MAPT (0.46) MAPTNPSR1RAB9A
SCHEMBL3374108 0.74 PPARG (0.49) LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (2 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-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD LMNA 319/4885SCN9A 4504/4885LIPE 130/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD LMNA 319/4885SCN9A 4504/4885LIPE 130/4885

“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.