SCHEMBL2069632

SCHEMBL2069632

O=C(Cl)C(S)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 4/20 0.44
MAPK1 P28482 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MME P08473 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL74366 0.80 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
Chloromethane SCHEMBL27726358 0.79 SRC (0.50) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL9035355 0.79 BRD4 (0.45) CYP2D6LMNAMAPK1CES2CES1
SCHEMBL27913889 0.78 CYP2D6 (0.48) SRCCYP2D6LMNAMAPK1CES2
Hydrochloric Acid SCHEMBL8340022 0.78 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11798536 0.77 CYP3A4 (0.40) KMT2A
SCHEMBL11249181 0.77 HDAC3 (0.44) LMNACES2CES1HDAC3HDAC4
SCHEMBL9781797 0.76 SRC (0.46) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL5463791 0.76 EPHX1 (0.48) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL7343000 0.76 CYP2D6 (0.46) SRCCYP2D6LMNAMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085337-A (Z)-3-dimethylamino-alpha-mercaptophenyl-alpha,beta-unsaturated amide compound and preparing method thereof ENGINEERING AND TECHNOLOGY INST OF LUNAN COAL CHEMICAL ENGINEERING 2015-11-25 CN claimed
JP-11209371-A None JP disclosed
CN-105085337-A (Z)-3-dimethylamino-alpha-mercaptophenyl-alpha,beta-unsaturated amide compound and preparing method thereof ENGINEERING AND TECHNOLOGY INST OF LUNAN COAL CHEMICAL ENGINEERING 2015-11-25 CN disclosed
US-7906546-B2 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-15 US disclosed
US-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES DEHMLOW HENRIETTA 2010-08-26 US disclosed
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
EP-1732892-B1 TETRAHYDROCARBAZOLES AND DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-09-17 EP disclosed
EP-1931627-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034251-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 EP disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP disclosed
US-4346076-A Bis-tetrazoylmethyl substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048169-A2 Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
US-3988325-A 7-Carboxy or 2,2,2-trichloroethoxy carbonyl- cephalosporins ELI LILLY AND COMPANY (US) 1976-10-26 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 (2 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-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES NR1H3, NR1H2, NR1H4 SRC 3330/4885CYP2D6 1092/4885LMNA 2529/4885
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 SRC 3285/4885CYP2D6 2824/4885LMNA 3402/4885

“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.