SCHEMBL4073087

SCHEMBL4073087

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MEP1B Q16820 2/20 0.48
MAPT P10636 1/20 0.48
IL1RN P18510 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 5/20 0.47
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL35184 0.80 CYP2C19 (0.55) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL29453097 0.80 CYP2C19 (0.55) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL4075954 0.80 TSHR (0.54) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL29245371 0.78 F2 (0.57) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL4416606 0.78 ALDH1A1 (0.56) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL19707163 0.78 HSD17B1 (0.43) ALDH1A1LMNACA1CA2
SCHEMBL19071740 0.78 CYP2C19 (0.54) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL31401049 0.77 CYP2C19 (0.60) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL31401215 0.77 CYP2C19 (0.60) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL751 0.77 PSIP1 (0.54) ALDH1A1CA1CA2MAPT

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 F2 4369/4885PRSS1 835/4885PRSS2 1961/4885

“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.