SCHEMBL14726672

SCHEMBL14726672

CC1=CC[C@H](C(=O)N(c2cc(C(C)(C)C)sc2C(=O)O)[C@H]2CC[C@H](O)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.33
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 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
SCHEMBL9965181 0.89 RAF1 (0.35)
SCHEMBL9965194 0.87 NR1I2 (0.30) NR1I2
SCHEMBL14718259 0.86 NR1I2 (0.49) NR1I2
SCHEMBL14718261 0.86 NR1I2 (0.49) NR1I2
SCHEMBL14718260 0.86 NR1I2 (0.49) NR1I2
SCHEMBL12945316 0.84
SCHEMBL12945329 0.84
SCHEMBL12945309 0.84
SCHEMBL12945827 0.84
SCHEMBL9965226 0.82 NR1I2 (0.31) NR1I2

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-20130052161-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-02-28 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-20130052161-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 60/4885LMNA 1377/4885CYP3A4 21/4885

“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.