SCHEMBL2055414

SCHEMBL2055414

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.49
▸ CYP2C9 P11712 1/20 0.44
▸ ATIC P31939 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ PKLR P30613 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 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
SCHEMBL3270506 0.88 CYP2C9 (0.51) CYP2C9ATICCYP2C19HSD17B10ALDH1A1
SCHEMBL1320440 0.87 ACLY (0.49) PLK1CYP2C9ATICCYP2C19HSD17B10
SCHEMBL12119339 0.86 MAPT (0.48) HSD17B10ALDH1A1MAPTHPGDPOLB
SCHEMBL10274483 0.76 PLK1 (0.67) PLK1MAPTPOLBNPC1RAB9A
SCHEMBL4245444 0.76 TUBB (0.49) MAPTPOLBMEN1KMT2AACLY
SCHEMBL3173034 0.74 PLK1 (0.41) PLK1HSD17B10ALDH1A1HPGDNPC1
SCHEMBL1110309 0.73 ACLY (0.49) CYP2C9ATICCYP2C19HSD17B10AKR1C3
SCHEMBL1110258 0.73 ACLY (0.58) CYP2C9ATICCYP2C19HSD17B10ALDH1A1
SCHEMBL13905620 0.73 TUBB (0.48) CYP2C9ATICCYP2C19HSD17B10MAPT
SCHEMBL1320525 0.73 KCNA5 (0.52) ALDH1A1MAPTLMNAMEN1KMT2A

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
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-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-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 (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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 PLK1 2929/4885CYP2C9 157/4885ATIC 50/4885

“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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