SCHEMBL9965222

SCHEMBL9965222

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.49
NR1I2 O75469 2/20 0.43
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL10207371 0.88 CYP2E1 (0.47) CYP2E1NR1I2HTT
SCHEMBL9965161 0.86 CYP2E1 (0.45) CYP2E1NR1I2HTT
SCHEMBL12514096 0.86 NR1I2 (0.41) CYP2E1NR1I2
SCHEMBL173181 0.86 CYP2E1 (0.47) CYP2E1NR1I2HTT
SCHEMBL12447295 0.86 CYP2E1 (0.47) CYP2E1NR1I2HTT
SCHEMBL9965220 0.85 CYP2E1 (0.44) CYP2E1NR1I2HTT
SCHEMBL1442845 0.84 CYP2E1 (0.68) CYP2E1NR1I2HTT
SCHEMBL1442657 0.84 CYP2E1 (0.68) CYP2E1NR1I2HTT
SCHEMBL9965160 0.84 CYP2E1 (0.44) CYP2E1NR1I2
SCHEMBL10265311 0.84 CYP2E1 (0.51) CYP2E1NR1I2

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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2E1 6/4885NR1I2 88/4885HTT 4622/4885

“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.