SCHEMBL2449532

SCHEMBL2449532

N#CCS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CTSL P07711 5/20 0.41
CTSS P25774 5/20 0.41
CTSK P43235 5/20 0.41
CTSC P53634 3/20 0.41
CTSB P07858 2/20 0.41
PGR P06401 1/20 0.40
BRD4 O60885 1/20 0.39
WDR5 P61964 1/20 0.39
HSD17B2 P37059 1/20 0.39
MMP2 P08253 2/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KAT6A Q92794 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36

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
SCHEMBL1885866 0.80 ALDH1A1 (0.45) ATMCTSLCTSSCTSKCTSC
SCHEMBL4251866 0.79 PLCG1 (0.56) ATMPGRBRD4WDR5HSD17B2
SCHEMBL30583823 0.79 KMT2A (0.50) MEN1KMT2A
SCHEMBL7951191 0.79 LMNA (0.55) KMT2A
SCHEMBL29934127 0.79 HSD17B1 (0.43) HSD17B2MMP2
SCHEMBL7140183 0.79 CYP1A2 (0.44) CTSLCTSSPGRMMP2MEN1
SCHEMBL7140024 0.79 KMT2A (0.50) MEN1KMT2A
SCHEMBL2320239 0.79 CA12 (0.42) PGRKAT6AMEN1KMT2AL3MBTL1
SCHEMBL19707163 0.79 HSD17B1 (0.43) HSD17B2MMP2
SCHEMBL28842239 0.77 CA12 (0.41) PGRKAT6AMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675663-A Preparation method of coumarin compound and application of coumarin compound in neuroprotection 兰州交通大学 2023-09-01 CN claimed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
EP-2367801-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS Wyeth LLC (US) 2011-09-28 EP disclosed
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
WO-2010059627-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS WYETH LLC (US) 2010-05-27 WO disclosed
EP-1575575-B1 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-19 EP disclosed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
US-20040138301-A1 Chemical uncouplers for the treatment of obesity HIGH POINT PHARMACEUTICALS, LLC 2004-07-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 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 (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-20100184786-A1 Polar Quinazolines NR1H3, NR1H2, NR1I3 ATM 2279/4885CTSL 4163/4885CTSS 3460/4885
US-20040138301-A1 Chemical uncouplers for the treatment of obesity PC, CPT2, IDH2 ATM 2987/4885CTSL 3375/4885CTSS 3977/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 ATM 2692/4885CTSL 4769/4885CTSS 4673/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 ATM 2420/4885CTSL 3976/4885CTSS 3509/4885

“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.