SCHEMBL1320440

SCHEMBL1320440

CNC(=O)c1cccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.49
▸ PLK1 P53350 1/20 0.48
▸ KDR P35968 1/20 0.44
▸ PGR P06401 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ATIC P31939 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ GPR27 Q9NS67 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41

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
SCHEMBL2055414 0.87 PLK1 (0.49) ACLYPLK1PKMCYP2C9ATIC
SCHEMBL1110258 0.87 ACLY (0.58) ACLYPGRCYP2C9ATICCYP2C19
SCHEMBL1110309 0.87 ACLY (0.49) ACLYPGRPKMCYP2C9ATIC
SCHEMBL1110383 0.86 ACLY (0.48) ACLYPGRPKMCYP2C9ATIC
SCHEMBL1320525 0.85 KCNA5 (0.52) ACLYPGR
SCHEMBL4245444 0.83 TUBB (0.49) ACLYPGR
SCHEMBL13905620 0.82 TUBB (0.48) ACLYCYP2C9ATICCYP2C19HSD17B10
SCHEMBL1110328 0.82 NAMPT (0.55) KDRCYP3A4CYP2D6PSEN1PSEN2
SCHEMBL12119507 0.82 CYP2C9 (0.50) ACLYCYP2C9ATICCYP2C19HSD17B10
SCHEMBL1110530 0.81 TUBB (0.45) ACLYCYP2C9ATICCYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — WO disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 — — WO 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 ACLY 633/4885PLK1 2929/4885KDR 2796/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 ACLY 1173/4885PLK1 4883/4885KDR 3417/4885

“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.

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