SCHEMBL3754562

SCHEMBL3754562

O=S1(=O)CCCc2cc[c]cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
LMNA P02545 1/20 0.36
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1156129 0.89 CA1 (0.42) CA2CA1CA9
SCHEMBL3765248 0.85 LMNA (0.36) CYP2C9LMNACA2CA1CA9
SCHEMBL3766342 0.73 CA1 (0.39) CA2CA1CA9
SCHEMBL255956 0.72 TSHR (0.44) CYP2C9LMNACA2CA1CA9
SCHEMBL31655439 0.72 TSHR (0.44) CYP2C9LMNACA2CA1CA9
Cyclopropane SCHEMBL2363143 0.71 TSHR (0.42) CYP2C9LMNACA2CA1CA9
Methane SCHEMBL10428157 0.71 TSHR (0.42) CYP2C9LMNACA2CA1CA9
Cyclopropane SCHEMBL2363620 0.69 TSHR (0.41) CYP2C9LMNACA2CA1CA9
SCHEMBL1156126 0.69
SCHEMBL407166 0.67 TSHR (0.48) CYP2C9LMNACA2CA1CA9

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR CYP2C9 1199/4885LMNA 3914/4885CA2 1640/4885

“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.