SCHEMBL6290759

SCHEMBL6290759

O=S(=O)(NCc1cccnc1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CYP2C19 P33261 1/20 0.67
CYP19A1 P11511 1/20 0.66
IDO1 P14902 1/20 0.65
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
HPGD P15428 1/20 0.60
PKM P14618 1/20 0.58
PAX8 Q06710 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL750261 0.87 MEN1 (0.58) MEN1KMT2ACYP2C19CYP19A1IDO1
SCHEMBL1876581 0.86 IDO1 (0.70) CYP2C19IDO1MAPTSMN1; SMN2LMNA
SCHEMBL1581598 0.85 CYP2C19 (0.67) CYP2C19CYP19A1IDO1MAPTSMN1; SMN2
SCHEMBL10638309 0.85 CYP2C19 (0.67) MEN1KMT2ACYP2C19IDO1MAPT
SCHEMBL7011027 0.85 ALDH1A1 (0.74) KMT2ACYP2C19CYP19A1IDO1MAPT
SCHEMBL15310921 0.84 NAMPT (0.78) MEN1KMT2A
SCHEMBL25011257 0.83 IDO1 (0.58) MEN1KMT2ACYP2C19CYP19A1IDO1
SCHEMBL1169297 0.82 NAMPT (0.72) CYP2C19CYP19A1IDO1MAPTSMN1; SMN2
SCHEMBL5646684 0.82 PAX8 (0.64) CYP2C19IDO1MAPTSMN1; SMN2LMNA
SCHEMBL15067289 0.81 IDO1 (0.64) MEN1KMT2ACYP2C19IDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 MEN1 2211/4885KMT2A 3583/4885CYP2C19 2131/4885

“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.