SCHEMBL9965217

SCHEMBL9965217

CC(C)(C)c1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](OP(=O)(c3ccccc3)c3ccccc3)CC2)c(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.40
CYP2E1 P05181 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL9965218 0.92 NR1I2 (0.39) NR1I2CYP2E1NPSR1RXFP1
SCHEMBL9965152 0.88 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL14685772 0.88 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL9965144 0.88 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL9961527 0.88 NR1I2 (0.55) NR1I2CYP2E1
SCHEMBL15383133 0.88 NR1I2 (0.55) NR1I2CYP2E1
SCHEMBL15378227 0.88 NR1I2 (0.55) NR1I2CYP2E1
SCHEMBL9965140 0.86 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL173187 0.84 NR1I2 (0.45) NR1I2CYP2E1
SCHEMBL173093 0.82 NR1I2 (0.47) NR1I2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO 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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885NPSR1 4583/4885

“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.