SCHEMBL14925017

SCHEMBL14925017

Cc1cc(C)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
NR1I2 O75469 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5006455 0.81 HSP90AA1 (0.44)
SCHEMBL5006007 0.79 S1PR4 (0.32) LMNAMAPTALDH1A1NR1I2NPSR1
SCHEMBL14924998 0.74 HSP90AA1 (0.39) LMNAMAPTALDH1A1NPSR1
SCHEMBL5006006 0.74 SCN9A (0.31) LMNA
SCHEMBL14925018 0.74 ALDH1A1 (0.34) LMNAALDH1A1TSHR
SCHEMBL14925048 0.73 APLNR (0.35)
SCHEMBL14925038 0.71 MAPT (0.41) MAPTALDH1A1TSHR
SCHEMBL5002643 0.69 HSP90AA1 (0.41)
SCHEMBL14925005 0.69 LSS (0.38) LMNAALDH1A1
SCHEMBL14925028 0.69 HSP90AA1 (0.39) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 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 (4 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 LMNA 4630/4885MAPT 2935/4885ALDH1A1 873/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 LMNA 4630/4885MAPT 2935/4885ALDH1A1 873/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 LMNA 4630/4885MAPT 2935/4885ALDH1A1 873/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 LMNA 4630/4885MAPT 2935/4885ALDH1A1 873/4885

“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.