SCHEMBL4980759

SCHEMBL4980759

NS(=O)(=O)C1(Cc2ccccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
AOC3 Q16853 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 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
SCHEMBL635599 0.74 MAOA (0.50) CA1CA2CA12CA9
SCHEMBL2474184 0.72 MAOA (0.52) LMNATAAR1IDO1KMT2AALDH1A1
SCHEMBL4978909 0.71 CA1 (0.39) TAAR1IDO1CA1CA2CA12
SCHEMBL30409980 0.70 LMNA (0.52) LMNATAAR1IDO1CA1CA2
SCHEMBL51098 0.70 LMNA (0.52) LMNATAAR1IDO1CA1CA2
SCHEMBL5072893 0.69 ALDH1A1 (0.46) LMNATAAR1IDO1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL20502511 0.68 LMNA (0.50) LMNATAAR1IDO1CA1CA2
SCHEMBL4236463 0.68 MAOA (0.47) CA1CA2CA12CA9GAA
Formic Acid SCHEMBL5135412 0.68 MAOB (0.43) LMNATAAR1IDO1KMT2AALDH1A1
SCHEMBL4980808 0.68 HRH1 (0.42) LMNACA1CA2KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed
EP-1505945-A4 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP LMNA 3287/4885TAAR1 2328/4885IDO1 1532/4885

“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.