SCHEMBL4981530

SCHEMBL4981530

C=CCCCCCCCCC1(S(=O)(=O)NN(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4982719 1.00 ALDH1A1 (0.33) ALDH1A1LMNAABCC4MAPT
SCHEMBL14856831 0.76 MAPT (0.40) ALDH1A1LMNAABCC4MAPT
SCHEMBL8208639 0.74 CA12 (0.38) ALDH1A1LMNAABCC4MAPT
SCHEMBL2419235 0.74 CA12 (0.38) ALDH1A1LMNAABCC4MAPT
SCHEMBL4978616 0.74
SCHEMBL4982725 0.72 ALDH1A1 (0.33) ALDH1A1LMNAABCC4MAPT
SCHEMBL4981535 0.72 ALDH1A1 (0.33) ALDH1A1LMNAABCC4MAPT
SCHEMBL4978708 0.71 KDM4E (0.36) ALDH1A1
SCHEMBL4979143 0.69
SCHEMBL6872276 0.68 CA12 (0.37) ALDH1A1LMNA

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 ALDH1A1 2672/4885LMNA 3287/4885ABCC4 2239/4885

“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.