SCHEMBL4871737

SCHEMBL4871737

CCSC1CNC(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
ALOX15 P16050 2/20 0.47
CYP2C19 P33261 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ARG1 P05089 1/20 0.41
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37
PMP22 Q01453 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DNMT3B Q9UBC3 2/20 0.35
DNMT1 P26358 1/20 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
Hydrochloric Acid SCHEMBL26115582 0.98 CTSC (0.46) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL4868082 0.83 CYP2D6 (0.42) CTSCCYP2D6CYP1A2ALOX15CYP2C19
Hydrochloric Acid SCHEMBL30572004 0.80 CTSC (0.44) CTSCDNMT1
SCHEMBL6335294 0.79 ALOX15 (0.39) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL6329716 0.79 ALOX15 (0.39) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL7306083 0.79 CYP2D6 (0.52) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL7340749 0.79 CYP2D6 (0.52) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL6329133 0.79 CYP2D6 (0.52) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL7873903 0.79 CYP2D6 (0.52) CTSCCYP2D6CYP1A2ALOX15CYP2C19
SCHEMBL7340833 0.79 CYP2D6 (0.52) CTSCCYP2D6CYP1A2ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516172-A 2007-06-21 JP claimed
US-7199106-B2 Lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
EP-1644393-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-04-12 EP claimed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 US claimed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 WO claimed
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

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 CTSC 1047/4885CYP2D6 2712/4885CYP1A2 3996/4885
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 CTSC 684/4885CYP2D6 2097/4885CYP1A2 3444/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L CTSC 962/4885CYP2D6 2845/4885CYP1A2 4056/4885

“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.