SCHEMBL6728633

SCHEMBL6728633

O=C(c1ccc(-c2cccc(CO)[n+]2[O-])cc1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.45
KLK1 P06870 1/20 0.45
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL6728634 0.94 F10 (0.45) F10KLK1ABL1BCRGAA
SCHEMBL6731158 0.93 F10 (0.44) F10KLK1ABL1BCRGAA
SCHEMBL6730953 0.90 GAA (0.37) F10KLK1GAAALDH1A1LMNA
SCHEMBL6726595 0.90 F10 (0.39) F10KLK1GAAALDH1A1LMNA
SCHEMBL6728390 0.90 F10 (0.47) F10KLK1GAAALDH1A1LMNA
SCHEMBL6731166 0.87 F10 (0.44) F10KLK1ABL1BCRGAA
SCHEMBL6726177 0.86 F10 (0.47) F10KLK1OPRM1
SCHEMBL6724997 0.86 F10 (0.48) F10KLK1GAALMNAL3MBTL1
SCHEMBL6730948 0.83 HRH4 (0.39) F10GAAALDH1A1LMNAL3MBTL1
SCHEMBL6726600 0.83 HRH4 (0.39) F10KLK1GAAALDH1A1LMNA

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 3139/4885ABL1 2357/4885

“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.