SCHEMBL6774400

SCHEMBL6774400

O=S(=O)(Cl)Cl.c1ccc(/N=N/c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 5/20 0.52
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
MAPT P10636 8/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
HPGD P15428 2/20 0.47
TRPA1 O75762 2/20 0.47
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL6774406 1.00 POLB (0.53) POLBCYP2D6ALDH1A1CASP3SENP8
Azobenzene SCHEMBL9551792 0.89 ALDH1A1 (0.67) POLBCYP2D6ALDH1A1CASP3SENP8
SCHEMBL1405398 0.86 ALDH1A1 (0.71) POLBCYP2D6ALDH1A1CASP3SENP8
SCHEMBL1405397 0.86 ALDH1A1 (0.71) POLBCYP2D6ALDH1A1CASP3SENP8
Water SCHEMBL28283150 0.84 ALDH1A1 (0.67) POLBCYP2D6ALDH1A1CASP3SENP8
SCHEMBL1178119 0.83 ALDH1A1 (0.75) POLBCYP2D6ALDH1A1CASP3SENP8
SCHEMBL1177600 0.83 ALDH1A1 (0.75) POLBCYP2D6ALDH1A1CASP3SENP8
SCHEMBL21242267 0.83 ALDH1A1 (0.75) POLBCYP2D6ALDH1A1CASP3SENP8
SCHEMBL22171083 0.83 ALDH1A1 (0.65) POLBCYP2D6ALDH1A1CASP3SENP8
Tannin Pyrogallol SCHEMBL27591599 0.83 CA1 (0.56) ALDH1A1PKMTDP1MAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762198-B2 SUCH AS 2-((4'-METHOXY-(1,1'-BIPHENYL)-4-YL)-SULFONYL)-AMINO-3-(2-PHENOXYMETHYL -(1,3)DIOXAN-2-YL)PROPIONIC ACID THE PROCTER & GAMBLE COMPANY 2004-07-13 US disclosed
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 US disclosed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US disclosed
EP-1165530-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed
WO-2000051993-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 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-20030225074-A1 Dihetero-substituted metalloprotease inhibitors ADAM9, ADAM17, ADAM8 POLB 1290/4885CYP2D6 143/4885ALDH1A1 966/4885

“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.