SCHEMBL4863737

SCHEMBL4863737

Clc1ccc(CSCc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2C9 P11712 1/20 1.00
MAPK1 P28482 1/20 1.00
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.59
IDO1 P14902 7/20 0.58
HTT P42858 3/20 0.58
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
SCHEMBL11228484 0.89 CYP1A2 (0.80) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL10953834 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL10724739 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL11709033 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL11742336 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL6011647 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL11353946 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL2339033 0.81 ALDH1A1 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL11322460 0.80 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1
SCHEMBL11095257 0.79 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2C9MAPK1

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
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-7199106-B2 Lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 US disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO disclosed
EP-1644393-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 US disclosed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 US disclosed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
US-5247113-A Curing agents or curing accelerators for epoxy resins CIBA-GEIGY CORPORATION (US) 1993-09-21 US disclosed
EP-0379464-B1 ARALIPHATIC SULFONIUM SALTS AND THEIR USE CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5013814-A Araliphatic sulfonium salts and their use CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0379464-A1 Araliphatic sulfonium salts and their use CIBA-GEIGY AG (CH) 1990-07-25 EP 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-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC CYP1A2 3996/4885CYP3A4 3879/4885CYP2C19 3297/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 CYP1A2 3444/4885CYP3A4 4199/4885CYP2C19 2647/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L CYP1A2 4056/4885CYP3A4 3937/4885CYP2C19 3350/4885

“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.