SCHEMBL3765248

SCHEMBL3765248

O=S1(=O)CCCc2c[c]ccc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL3766342 0.89 CA1 (0.39) CA2CA1CA9
SCHEMBL3754562 0.85 CYP2C9 (0.36) LMNACYP2C9CA2CA1CA9
SCHEMBL5198975 0.78
SCHEMBL1156129 0.73 CA1 (0.42) CA2CA1CA9
SCHEMBL31655439 0.72 TSHR (0.44) LMNACYP2C9CA2CA1CA9
SCHEMBL255956 0.72 TSHR (0.44) LMNACYP2C9CA2CA1CA9
Cyclopropane SCHEMBL2363143 0.71 TSHR (0.42) LMNACYP2C9CA2CA1CA9
Methane SCHEMBL10428157 0.71 TSHR (0.42) LMNACYP2C9CA2CA1CA9
Cyclopropane SCHEMBL2363620 0.69 TSHR (0.41) LMNACYP2C9CA2CA1CA9
SCHEMBL5198921 0.69

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 3 patents. 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
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR LMNA 3914/4885CYP2C9 1199/4885CA2 1640/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 LMNA 515/4885CYP2C9 477/4885CA2 236/4885

“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.