SCHEMBL5514581

SCHEMBL5514581

Cc1cccc(CSC2CNC(C(=O)O)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
CTSC P53634 2/20 0.42
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
GRIK1 P39086 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
GRIA2 P42262 1/20 0.38
DAO P14920 1/20 0.38
CTBP2 P56545 1/20 0.37

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
SCHEMBL7763253 0.85 CTSC (0.47) CTSCGRIK1KDM4EKMT2AMAPT
SCHEMBL13481773 0.85 CTSC (0.47) CTSCGRIK1KDM4EKMT2AMAPT
SCHEMBL10969399 0.85 CTSC (0.47) CTSCGRIK1KDM4EKMT2AMAPT
SCHEMBL7763258 0.85 CTSC (0.47) CTSCGRIK1KDM4EKMT2AMAPT
SCHEMBL3184417 0.85 CTSC (0.47) CTSCGRIK1KDM4EKMT2AMAPT
SCHEMBL4864246 0.84 KMT2A (0.40) CTSCGRIK1KDM4EKMT2AMAPT
SCHEMBL20746440 0.78 GRIK1 (0.53) GRM2GRM3GRIK1SLC6A2SLC6A4
SCHEMBL29350039 0.78 GRIK1 (0.53) GRM2GRM3GRIK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30405343 0.77 GRIK1 (0.54) GRM2GRM3GRIK1SLC6A2SLC6A4
SCHEMBL4863983 0.76 KMT2A (0.40) CTSCGRM2GRM3GRIK1TAAR1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L ACE 2913/4885CTSC 962/4885GRM2 4739/4885

“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.