SCHEMBL6771937

SCHEMBL6771937

COc1ccc(-c2ccc(S(=O)(=O)NC3CC(CSc4nc5ccccc5s4)OC3=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 5/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 4/20 0.40
PKM P14618 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL6768634 0.82 CA12 (0.43) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL6768648 0.77 KCNA5 (0.43) ALDH1A1MAPTLMNATP53GAA
SCHEMBL6772307 0.77 ALDH1A1 (0.39) ALDH1A1LMNATP53HPGDPKM
SCHEMBL6773324 0.75 HSD11B1 (0.39) ALDH1A1LMNATP53GAAHPGD
SCHEMBL6771966 0.74 ALDH1A1 (0.44) ALDH1A1LMNAHPGDKDM4EPOLB
SCHEMBL6772860 0.73 MMP2 (0.39) ALDH1A1GAAHPGDHSD17B10
SCHEMBL6768923 0.68 MMP2 (0.49) ALDH1A1MAPTLMNATP53GAA
SCHEMBL10665942 0.67 ALDH1A1 (0.58) ALDH1A1MAPTLMNATP53GAA
SCHEMBL7154367 0.66 L3MBTL1 (0.55) ALDH1A1MAPTLMNATP53GAA
SCHEMBL25835842 0.65 MAPT (0.55) ALDH1A1MAPTLMNAGAAHPGD

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 5 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
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 ALDH1A1 966/4885MAPT 4166/4885LMNA 2052/4885

“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.