SCHEMBL4551576

SCHEMBL4551576

O=C(O)CSc1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.66
FFAR1 O14842 2/20 0.64
ALDH1A1 P00352 2/20 0.47
CXCL12 P48061 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
CTSB P07858 1/20 0.45
ELANE P08246 1/20 0.45
DUSP3 P51452 1/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CA6 P23280 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDC25B P30305 1/20 0.42
CYP2C19 P33261 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
SCHEMBL11887852 0.88 FFAR1 (0.75) APEX1FFAR1ALDH1A1CXCL12MEN1
SCHEMBL11214282 0.83 SMN1; SMN2 (0.50) APEX1FFAR1ALDH1A1MEN1KMT2A
SCHEMBL11214281 0.83 APEX1 (0.46) APEX1FFAR1ALDH1A1MEN1KMT2A
SCHEMBL29650224 0.83 SMN1; SMN2 (0.50) APEX1FFAR1ALDH1A1MEN1KMT2A
SCHEMBL19309449 0.82 MEN1 (0.56) APEX1FFAR1ALDH1A1MEN1KMT2A
SCHEMBL22714458 0.81 ALDH1A1 (0.53) APEX1FFAR1ALDH1A1CA12CA2
SCHEMBL21102985 0.80 APEX1 (0.44) APEX1FFAR1ALDH1A1MEN1KMT2A
SCHEMBL6089528 0.79 APEX1 (0.64) APEX1FFAR1ALDH1A1CXCL12MEN1
SCHEMBL8870413 0.79 APEX1 (0.64) APEX1FFAR1ALDH1A1CXCL12MEN1
SCHEMBL4278929 0.79 APEX1 (0.64) APEX1FFAR1ALDH1A1CXCL12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP claimed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP disclosed
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 US disclosed
US-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 US disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 US disclosed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 US 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 (4 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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 APEX1 333/4885FFAR1 1160/4885ALDH1A1 1065/4885
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 APEX1 333/4885FFAR1 1160/4885ALDH1A1 1065/4885
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS APEX1 1540/4885FFAR1 3201/4885ALDH1A1 1627/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS APEX1 1540/4885FFAR1 3201/4885ALDH1A1 1627/4885

“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.