SCHEMBL5708672

SCHEMBL5708672

NCCCCCS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
CA2 P00918 3/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL10686288 0.92 NPC1 (0.52) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL1939594 0.84 NPC1 (0.55) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL26377170 0.81 THRB (0.52) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL9938680 0.81 ALDH1A1 (0.71) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL7004939 0.81 KMT2A (0.46) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL31561797 0.81 ALDH1A1 (0.71) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL20329721 0.81 HDAC1 (0.56) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27661877 0.81 GAA (0.53) CA2KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL10568403 0.81 ALDH1A1 (0.48) NPC1CA2KMT2AMEN1ALDH1A1
SCHEMBL10389514 0.79 ALDH1A1 (0.52) NPC1CA2KMT2AMEN1ALDH1A1

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
EP-0999209-B1 2-SULFAMOYLBENZOIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2006-11-02 EP disclosed
US-20020049228-A1 2-Sulfamoylbenzoic acid derivatives KAKEN PHARMACEUTICALS 2002-04-25 US disclosed
US-6376671-B1 LEUKOTRIENE AND THROMBOXANE A2 ANTAGONISTIC AGENTS; ANTIALLERGIC AGENTS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6255321-B1 ANTIALLERGENS; RESPIRATRORY SYSTEM DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2001-07-03 US disclosed
EP-0999209-A1 2-SULFAMOYLBENZOIC ACID DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2000-05-10 EP 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-20020049228-A1 2-Sulfamoylbenzoic acid derivatives LTB4R2, LTB4R, CYSLTR2 NPC1 4511/4885CA2 924/4885KMT2A 2821/4885

“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.