SCHEMBL6730713

SCHEMBL6730713

COc1c(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4cc[n+]([O-])c(C)c4)cc3)CC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.46
KLK1 P06870 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
MAP2 P11137 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL6734925 0.92 F10 (0.45) F10KLK1MEN1KMT2ACYP3A4
SCHEMBL6729442 0.91 F10 (0.47) F10KLK1MEN1KMT2ACYP3A4
SCHEMBL6725848 0.90 F10 (0.47) F10KLK1MEN1KMT2AJAK2
SCHEMBL6726146 0.89 F10 (0.46) F10KLK1MEN1KMT2ACYP3A4
SCHEMBL6737048 0.89 CYP3A4 (0.38) F10KLK1MEN1KMT2ACYP3A4
SCHEMBL6729605 0.88 F10 (0.44) F10KLK1MEN1KMT2AJAK2
SCHEMBL6729450 0.84 F10 (0.50) F10KLK1MEN1KMT2ACYP3A4
SCHEMBL6735051 0.83 F10 (0.46) F10KLK1MEN1KMT2ACYP3A4
SCHEMBL6729142 0.83 F10 (0.66) F10KLK1HRH1HRH4HRH3
SCHEMBL6729600 0.81 F10 (0.37) F10KLK1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 F10 19/4885KLK1 3139/4885MEN1 2216/4885

“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.