SCHEMBL4075954

SCHEMBL4075954

N#CCS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CA12 O43570 8/20 0.50
CA2 P00918 8/20 0.50
CA9 Q16790 8/20 0.50
CA1 P00915 6/20 0.50
CA14 Q9ULX7 4/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C19 P33261 1/20 0.50
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 2/20 0.44

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
SCHEMBL4073087 0.80 F2 (0.53) CA2CA1CYP2C19F2PRSS1
SCHEMBL751 0.78 PSIP1 (0.54) TSHRHSD17B10CA12CA2CA9
Methane SCHEMBL8122177 0.76 PSIP1 (0.52) TSHRHSD17B10CA12CA2CA9
SCHEMBL1403608 0.76 TSHR (0.61) TSHRHSD17B10CA12CA2CA9
SCHEMBL4078319 0.76 CA1 (0.58) CA2CA1ALDH1A1
SCHEMBL28541012 0.75 TP53 (0.74) CA12CA2CA9CA1CYP2C19
SCHEMBL4250031 0.75 TSHR (0.47) TSHRHSD17B10CA12CA2CA9
SCHEMBL1169954 0.75 ALDH1A1 (0.55) HSD17B10CA12CA2CA9CA1
SCHEMBL2320786 0.75 PSEN1 (0.46) CA2CA1F2PRSS1PRSS2
SCHEMBL4074745 0.75 ENPP2 (0.45) TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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 (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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 TSHR 2048/4885HSD17B10 10/4885CA12 4756/4885

“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.