SCHEMBL10042011

SCHEMBL10042011

CCC(CC)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.35
SHBG P04278 2/20 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
SCHEMBL14238599 0.86 PIK3CD (0.31) PIK3CDSHBG
SCHEMBL17625054 0.86 PDE4A (0.33) PIK3CD
SCHEMBL22751131 0.85 SHBG (0.31) SHBG
SCHEMBL66752 0.83 GBA1 (0.30)
SCHEMBL910914 0.80
SCHEMBL18862407 0.80 SHBG (0.43) SHBG
Water SCHEMBL10629881 0.77
SCHEMBL2667240 0.77 PIK3CD (0.39) PIK3CDSHBG
SCHEMBL9965028 0.75 PIK3CD (0.33) PIK3CDSHBG
SCHEMBL3122833 0.75 PIK3CD (0.33) PIK3CDSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 US disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 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 (2 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-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PIK3CD 99/4885SHBG 4757/4885
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PIK3CD 99/4885SHBG 4757/4885

“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.