SCHEMBL12945479

SCHEMBL12945479

CC(C)(C)c1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](Oc3cc(N4CCCC4)ncn3)CC2)c(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.41
▸ CYP2E1 P05181 1/20 0.34
▸ ACACB O00763 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.30
▸ CHRM4 P08173 2/20 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
SCHEMBL12949676 0.94 NR1I2 (0.34) NR1I2ACACBGPR119CHRM4
SCHEMBL939738 0.89 NR1I2 (0.55) NR1I2CYP2E1ACACB
SCHEMBL12909639 0.89 NR1I2 (0.55) NR1I2CYP2E1ACACB
SCHEMBL12945482 0.89 NR1I2 (0.40) NR1I2CYP2E1
SCHEMBL12945519 0.88 NR1I2 (0.41) NR1I2CYP2E1
SCHEMBL12945310 0.87 NR1I2 (0.40) NR1I2CYP2E1
SCHEMBL12945264 0.86 NR1I2 (0.38) NR1I2CYP2E1GPR119
SCHEMBL12945308 0.84 NR1I2 (0.40) NR1I2CYP2E1
SCHEMBL12945475 0.83 NR1I2 (0.40) NR1I2CYP2E1
SCHEMBL12949580 0.83 NR1I2 (0.48) NR1I2CYP2E1ACACB

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-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — 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-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885ACACB 571/4885

“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.

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