SCHEMBL4983531

SCHEMBL4983531

Cc1cc(CC2(S(=O)(=O)NN(C(=O)O)C(C)(C)C)CC2)no1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
BMP1 P13497 1/20 0.34
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL4984754 0.80 MEN1 (0.36) ALDH1A1KMT2A
SCHEMBL8353407 0.76 CA12 (0.35) EPHX2BMP1CNR2SMN1; SMN2ALDH1A1
SCHEMBL4978708 0.75 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4EKMT2APKM
SCHEMBL4977305 0.71
SCHEMBL4977511 0.71 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAEGFR
SCHEMBL6050976 0.70 EPHX2 (0.39) EPHX2BMP1CNR2SMN1; SMN2ALDH1A1
SCHEMBL4979915 0.70 MAPT (0.37) EPHX2BMP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4977420 0.70 LIMK2 (0.36) ALDH1A1KDM4ELMNA
SCHEMBL4977366 0.70
SCHEMBL4977037 0.69

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 3 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
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US 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 EPHX2 2713/4885BMP1 2112/4885CNR2 3061/4885

“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.