SCHEMBL5513558

SCHEMBL5513558

O=C(O)C1CC(SCc2ccc(OC(F)(F)F)cc2)CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
EPHX1 P07099 2/20 0.42
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ACE P12821 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
EPHX2 P34913 2/20 0.37
LTA4H P09960 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KDM1A O60341 1/20 0.36
SCN9A Q15858 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CA12 O43570 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
SCHEMBL7143288 0.84 GRIK1 (0.40) EPHX1KMT2A
SCHEMBL5285064 0.84 GRIK1 (0.40) EPHX1KMT2A
SCHEMBL3196017 0.84 GRIK1 (0.40) EPHX1KMT2A
SCHEMBL4863983 0.82 KMT2A (0.40) EPHX1KMT2A
SCHEMBL10969399 0.81 CTSC (0.47) KMT2A
SCHEMBL3184417 0.81 CTSC (0.47) KMT2A
SCHEMBL7763258 0.81 CTSC (0.47) KMT2A
SCHEMBL7763253 0.81 CTSC (0.47) KMT2A
SCHEMBL13481773 0.81 CTSC (0.47) KMT2A
SCHEMBL4864246 0.80 KMT2A (0.40) KMT2A

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 HTR2C 4337/4885EPHX1 4514/4885OPRM1 2440/4885

“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.