SCHEMBL1995673

SCHEMBL1995673

O=[N+]([O-])c1ccc2nc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.45
PPARG P37231 3/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.42
SGK1 O00141 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XBP1 P17861 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL2000439 0.90 PPARG (0.51) PPARGCYP3A4MEN1KMT2ASGK1
SCHEMBL2000894 0.90 FSCN1 (0.44) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL2003674 0.90 PPARG (0.53) FSCN1PPARGCYP3A4MEN1KMT2A
SCHEMBL1996532 0.88 PPARG (0.47) PPARGCYP3A4MEN1KMT2ASGK1
SCHEMBL7083432 0.88 MEN1 (0.52) FSCN1MEN1KMT2ANPC1PKM
SCHEMBL1994385 0.88 PPARG (0.49) PPARGCYP3A4MEN1KMT2ASGK1
SCHEMBL1998667 0.86 PPARG (0.46) PPARGCYP3A4MEN1KMT2ASGK1
SCHEMBL1998653 0.86 PPARG (0.47) PPARGCYP3A4MEN1KMT2ASGK1
SCHEMBL1997365 0.85 PPARG (0.49) PPARGCYP3A4MEN1KMT2APKM
SCHEMBL1997762 0.84 PPARG (0.46) PPARGCYP3A4MEN1KMT2ASGK1

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
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 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 (4 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD FSCN1 4835/4885PPARG 2/4885CYP3A4 675/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD FSCN1 4835/4885PPARG 2/4885CYP3A4 675/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD FSCN1 4835/4885PPARG 2/4885CYP3A4 675/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD FSCN1 4826/4885PPARG 1/4885CYP3A4 772/4885

“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.