SCHEMBL5380400

SCHEMBL5380400

O=[N+]([O-])c1ccc(SCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
SLC29A1 Q99808 1/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.43
LMNA P02545 3/20 0.43
IDO1 P14902 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSPB1 P04792 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4333026 0.86 SLC29A1 (0.50) MAPTSLC29A1ALDH1A1POLBLMNA
SCHEMBL27866233 0.85 HSP90AA1 (0.56) MAPTSLC29A1ALDH1A1POLBHSP90AA1
SCHEMBL5373176 0.81 MAPT (0.56) MAPTALDH1A1POLBLMNACYP3A4
SCHEMBL5376333 0.78 MAPT (0.63) MAPTALDH1A1POLBLMNACYP3A4
SCHEMBL23407728 0.76 MAPT (0.59) MAPTALDH1A1POLBLMNACYP2C9
SCHEMBL5052654 0.75 CYP1A2 (0.73) MAPTSLC29A1ALDH1A1POLBLMNA
SCHEMBL10976684 0.75 CYP1A2 (0.73) MAPTSLC29A1ALDH1A1POLBLMNA
SCHEMBL12271789 0.75 MAPT (0.54) MAPTALDH1A1POLBLMNAIDO1
SCHEMBL28532263 0.75 MAPT (0.61) MAPTSLC29A1ALDH1A1POLBLMNA
SCHEMBL27450371 0.75 MAPT (0.54) MAPTALDH1A1POLBLMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
EP-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 EP disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 WO 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MAPT 1786/4885SLC29A1 2541/4885ALDH1A1 2956/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD MAPT 1984/4885SLC29A1 2725/4885ALDH1A1 2752/4885

“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.