SCHEMBL4079218

SCHEMBL4079218

N#CCS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 1/20 0.52
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
HTR6 P50406 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL30583821 1.00 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL878485 0.79 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL63239 0.79 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL3245602 0.77 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL3324368 0.77 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL28956730 0.76 TTR (0.42) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL28956728 0.76 CA2 (0.58) CA2F2PRSS1PRSS2PRSS3
SCHEMBL756789 0.76 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL3324371 0.76 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL1813055 0.76 CA1 (0.57) CA1CA2CA9F2PRSS1

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
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
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 CA1 4828/4885CA2 4544/4885CA9 4268/4885

“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.