SCHEMBL4133539

SCHEMBL4133539

NC(=O)CCSCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.72
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
USP2 O75604 1/20 0.49
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
IDO1 P14902 4/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL44801 0.84 CYP2C19 (1.00) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL1478837 0.82 MEN1 (0.66) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL1477938 0.81 ALDH1A1 (0.54) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
Carbamic Acid SCHEMBL28267319 0.81 CYP2C19 (0.61) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
Urea SCHEMBL27623582 0.81 CYP2C19 (0.61) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL4046464 0.81 CYP2C19 (0.62) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL724648 0.81 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11260584 0.81 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL5935700 0.81 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL4050426 0.81 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP claimed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
US-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2023-11-02 US disclosed
WO-2010144712-A1 DERIVATIVES, REAGENTS, AND IMMUNOASSAY FOR DETECTING LEVETIRACETAM SERADYN, INC. (US) 2010-12-16 WO disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
CN-101252954-A Hydrazide conjugates as imaging agents BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-27 CN disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO disclosed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
EP-0706512-A1 ACETAMIDE DERIVATIVES AND THEIR USE FOR MODIFYING FEEDING BEHAVIOUR MODIFIERS LABORATOIRE L. LAFON (FR) 1996-04-17 EP disclosed
WO-1995001333-A1 ACETAMIDE DERIVATIVES AND THEIR USE FOR MODIFYING FEEDING BEHAVIOUR MODIFIERS LABORATOIRE L. LAFON (FR) 1995-01-12 WO disclosed
US-4394520-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-07-19 US disclosed
US-4204064-A FOR TREATMENT OF SKIN OR SCALP L'OREAL (FR) 1980-05-20 US disclosed
US-4139635-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1979-02-13 US disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 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 (3 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG CYP2C19 1149/4885HPGD 768/4885ALDH1A1 1373/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG CYP2C19 1149/4885HPGD 768/4885ALDH1A1 1373/4885
US-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID SCD5, DHCR7, BCL6 CYP2C19 1131/4885HPGD 629/4885ALDH1A1 1740/4885

“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.