SCHEMBL9965212

SCHEMBL9965212

CCOP(C)(=O)C1(OC)CCC(N(c2cc(C(C)(C)C)sc2C(=O)OC)C(=O)[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.34
MAPK14 Q16539 2/20 0.32
RAF1 P04049 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL9965213 0.93 NR1I2 (0.40) NR1I2
SCHEMBL9965215 0.93 NR1I2 (0.33) NR1I2MAPK14RAF1L3MBTL1
SCHEMBL9961544 0.88 NR1I2 (0.48) NR1I2
SCHEMBL9932040 0.88 NR1I2 (0.48) NR1I2
SCHEMBL9965221 0.84 NR1I2 (0.41) NR1I2
SCHEMBL12949400 0.83 NR1I2 (0.41) NR1I2MAPK14RAF1L3MBTL1
SCHEMBL9961536 0.82 NR1I2 (0.55) NR1I2
SCHEMBL9932970 0.82 NR1I2 (0.55) NR1I2
SCHEMBL12516055 0.82 RAF1 (0.38) NR1I2MAPK14RAF1
SCHEMBL12516366 0.82 RAF1 (0.38) NR1I2MAPK14RAF1

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 NR1I2 88/4885MAPK14 2109/4885RAF1 1470/4885

“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.