SCHEMBL6196742

SCHEMBL6196742

N[C@H]1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.50
AKR1C1 Q04828 1/20 0.50
KDR P35968 1/20 0.49
MCOLN3 Q8TDD5 3/20 0.49
LMNA P02545 2/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
F10 P00742 6/20 0.47
F2 P00734 1/20 0.46
KDM2B Q8NHM5 1/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6370497 0.84 AKR1C3 (0.48) AKR1C3AKR1C1MCOLN3LMNAF10
SCHEMBL6370496 0.82 AKR1C3 (0.61) AKR1C3AKR1C1LMNAF10F2
SCHEMBL567669 0.81 AKR1C3 (0.47) AKR1C3AKR1C1KDRMCOLN3LMNA
SCHEMBL567670 0.81 AKR1C3 (0.47) AKR1C3AKR1C1KDRMCOLN3LMNA
Hydrochloric Acid SCHEMBL567421 0.80 AKR1C3 (0.46) AKR1C3AKR1C1KDRMCOLN3LMNA
Hydrochloric Acid SCHEMBL567420 0.80 AKR1C3 (0.46) AKR1C3AKR1C1KDRMCOLN3LMNA
SCHEMBL68944 0.77 POLB (0.64) LMNAPKMALDH1A1POLB
SCHEMBL12939701 0.77 MCOLN3 (0.74) AKR1C3AKR1C1MCOLN3LMNAPKM
SCHEMBL5736345 0.76 F10 (0.68) LMNAF10PKMTSHR
SCHEMBL5735074 0.76 F10 (0.68) LMNAF10PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
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
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (2 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 AKR1C3 1221/4885AKR1C1 1213/4885KDR 2203/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 AKR1C3 4112/4885AKR1C1 3247/4885KDR 2138/4885

“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.