SCHEMBL25878581

SCHEMBL25878581

COc1cnc(C(C)(C)C)c([SH](C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
PDK2 Q15119 1/20 0.31
RIPK2 O43353 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
SCHEMBL17877840 0.77 CA1 (0.41) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL13624095 0.76 CA1 (0.39) CA1CA2ALDH1A1CYP1A1CYP1B1
SCHEMBL21718943 0.76 CA1 (0.39) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL22949457 0.76 CA1 (0.53) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL21718904 0.74 CA1 (0.38) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL21718945 0.74 TAAR1 (0.40) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL21718833 0.71 CA1 (0.36) CA1CA2ALDH1A1CYP1A1CYP1B1
SCHEMBL19618080 0.64 ELANE (0.35) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL24656018 0.64 CA1 (0.48) CA1CA2ALDH1A1CCR1CCR5
SCHEMBL24922437 0.64 CA1 (0.48) CA1CA2ALDH1A1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 CA1 4337/4885CA2 3011/4885ALDH1A1 3215/4885

“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.