SCHEMBL6502177

SCHEMBL6502177

O=C(NCCC1SC(NC2CCCCCCC2)=NC1=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.42
PPARD Q03181 1/20 0.41
CHRM4 P08173 1/20 0.41
TRPV1 Q8NER1 8/20 0.40
DPP4 P27487 3/20 0.40
DHODH Q02127 1/20 0.38
GCGR P47871 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL6510198 0.88 CXCR4 (0.44) CXCR4
SCHEMBL6507017 0.87 PSMB11 (0.39) TRPV1
SCHEMBL6498629 0.87 LMNA (0.41) TRPV1
SCHEMBL6390689 0.85 ALDH1A1 (0.50) CXCR4TRPV1
SCHEMBL6506236 0.81 LMNA (0.43) TRPV1
SCHEMBL6392368 0.81 CCNA2 (0.41)
SCHEMBL6390900 0.81 CCNA2 (0.41)
SCHEMBL6510402 0.81 RAB9A (0.57)
SCHEMBL6388703 0.81 CCNA2 (0.41)
SCHEMBL6505267 0.80 ATM (0.41) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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 (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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 CXCR4 781/4885PPARD 848/4885CHRM4 1923/4885

“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.