SCHEMBL4879818

SCHEMBL4879818

CCOC(=O)C(CSC(C)=O)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CAD P27708 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL2294810 1.00 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL18735207 0.88 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL8752060 0.88 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL8751980 0.86 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL19176028 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL21554072 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL2953807 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL2953811 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL2953812 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL6470507 0.85 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030095959-A1 Topical skin composition ACCESS BUSINESS GROUP INTERNATIONAL LLC. 2003-05-22 US claimed
EP-0716601-B1 USE OF N,S-DIACETYLCYSTEINE-ETHYLESTER (DACEE) FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES LUDWIG WEISS DR (DE) 2000-06-28 EP claimed
US-6045832-A ADMINISTERING DOSAGE OF N,S-DIACETYLCYSTEINE ETHYL ESTER (DACEE) IN A CARRIER FOR INHIBITING PROPAGATION OF HEPATITIS VIRUS LUDWIG WEISS (DE) 2000-04-04 US claimed
US-20080124409-A1 Topical Skin Compositions, Their Preparation, and Their Use ACCESS BUSINESS GROUP INTERNATIONAL LLC 2008-05-29 US disclosed
US-20080081034-A1 Topical Skin Compositions, Their Preparation, and Their Use ACCESS BUSINESS GROUP INTERNATIONAL LLC 2008-04-03 US disclosed
US-20080081082-A1 Topical Skin Compositions, Their Preparation, and Their Use ACCESS BUSINES GROUP INTERNATIONAL LLC 2008-04-03 US disclosed
US-20070003536-A1 Topical skin compositions, their preparation, and their use ACCESS BUSINESS GROUP INTERNATIONAL LLC 2007-01-04 US disclosed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US disclosed
US-20030095959-A1 Topical skin composition ACCESS BUSINESS GROUP INTERNATIONAL LLC. 2003-05-22 US disclosed
US-6426370-B1 IN CELL-FREE ENVIRONMENT SUCH AS BLOOD, CELL CULTURE LIQUIDS AND NUTRIENT MEDIA, OR THE SURFACES OF PLANTS OR ANIMALS; N-ACETYL CYSTEINE FOR EXAMPLE HOFSCHNEIDER PETER (DE) 2002-07-30 US disclosed
US-20020040057-A1 USE OF THIOL COMPOUNDS IN VIRAL INACTIVATION HOFSCHNEIDER PETER (DE) 2002-04-04 US disclosed
US-6045832-A ADMINISTERING DOSAGE OF N,S-DIACETYLCYSTEINE ETHYL ESTER (DACEE) IN A CARRIER FOR INHIBITING PROPAGATION OF HEPATITIS VIRUS LUDWIG WEISS (DE) 2000-04-04 US disclosed
US-6045832-A ADMINISTERING DOSAGE OF N,S-DIACETYLCYSTEINE ETHYL ESTER (DACEE) IN A CARRIER FOR INHIBITING PROPAGATION OF HEPATITIS VIRUS LUDWIG WEISS (DE) 2000-04-04 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 (5 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-20080081034-A1 Topical Skin Compositions, Their Preparation, and Their Use COL14A1, MMP8, MMP1 CYP1A2 597/4885CYP2C9 1114/4885CYP2C19 937/4885
US-20080124409-A1 Topical Skin Compositions, Their Preparation, and Their Use COL14A1, MMP8, MMP1 CYP1A2 597/4885CYP2C9 1114/4885CYP2C19 937/4885
US-20030095959-A1 Topical skin composition CUTA, S100A4, KRT18 CYP1A2 1425/4885CYP2C9 3890/4885CYP2C19 3377/4885
US-20070003536-A1 Topical skin compositions, their preparation, and their use COL14A1, MMP8, MMP1 CYP1A2 597/4885CYP2C9 1114/4885CYP2C19 937/4885
US-20080081082-A1 Topical Skin Compositions, Their Preparation, and Their Use COL14A1, MMP8, MMP1 CYP1A2 597/4885CYP2C9 1114/4885CYP2C19 937/4885

“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.