SCHEMBL6731336

SCHEMBL6731336

O=C(OC1(CCC2CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CCN2)N=NN=N1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
F2 P00734 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PKM P14618 2/20 0.35
CXCR4 P61073 1/20 0.35
GLRA3 O75311 2/20 0.34
GLRB P48167 2/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL6732971 0.83 ADAM17 (0.39) F10F2PKM
SCHEMBL6729530 0.76 F10 (0.64) F10F2
Trifluoroacetic Acid SCHEMBL6731333 0.75 F10 (0.39) F10F2
SCHEMBL6198614 0.74 F10 (0.44) F10F2
Hydrochloric Acid SCHEMBL6734214 0.73 F10 (0.48) F10F2AKR1C3AKR1C1PKM
SCHEMBL6736830 0.72 PKM (0.38) F10F2AKR1C3AKR1C1PKM
Trifluoroacetic Acid SCHEMBL6738167 0.72 F10 (0.39) F10F2AKR1C3AKR1C1TDO2
SCHEMBL6730168 0.71 F10 (0.40) F10F2PKMCXCR4
Hydrochloric Acid SCHEMBL6725831 0.70 F10 (0.47) F10PKM
SCHEMBL6738671 0.70 F10 (0.66) F10F2

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 19/4885F2 1/4885AKR1C3 1221/4885

“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.