SCHEMBL5652251

SCHEMBL5652251

CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 5/20 1.00
TAOK3 Q9H2K8 4/20 1.00
EPHX2 P34913 14/20 0.64
PPARG P37231 9/20 0.58
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL31458328 1.00 TAOK1 (1.00) TAOK1TAOK3EPHX2PPARGALDH1A1
SCHEMBL5652402 0.84 TAOK1 (1.00) TAOK1TAOK3EPHX2PPARGALDH1A1
SCHEMBL31458332 0.84 TAOK1 (1.00) TAOK1TAOK3EPHX2PPARGALDH1A1
SCHEMBL14422176 0.81 TAOK1 (0.73) TAOK1TAOK3EPHX2ALDH1A1
SCHEMBL21773985 0.78 TAOK1 (0.64) TAOK1TAOK3EPHX2PPARG
SCHEMBL13754030 0.76 TAOK1 (0.60) TAOK1TAOK3ALDH1A1
SCHEMBL13059390 0.75 TAOK1 (0.58) TAOK1TAOK3EPHX2PPARG
SCHEMBL5643051 0.75 EPHX2 (0.79) TAOK1TAOK3EPHX2PPARGALDH1A1
SCHEMBL5654217 0.74 TAOK1 (0.63) TAOK1TAOK3
Hydrochloric Acid SCHEMBL17687150 0.74 TAOK1 (0.57) TAOK1TAOK3EPHX2PPARG

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-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US claimed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 TAOK1 1/4885TAOK3 2/4885EPHX2 3128/4885

“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.