SCHEMBL14655274

SCHEMBL14655274

CC(C)[C@H](NC(=O)O)C(=O)N1C[C@H](C)C[C@H]1c1nc2cc(I)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
KCNH2 Q12809 1/20 0.46
PRCP P42785 2/20 0.37
CYP3A4 P08684 2/20 0.35

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
SCHEMBL14655351 1.00 CYP2C9 (0.46) CYP2C9KCNH2PRCPCYP3A4
SCHEMBL14841664 1.00 CYP2C9 (0.46) CYP2C9KCNH2PRCPCYP3A4
SCHEMBL1914105 0.91 CYP2C9 (0.55) CYP2C9KCNH2CYP3A4
SCHEMBL12333040 0.91 CYP2C9 (0.55) CYP2C9KCNH2CYP3A4
SCHEMBL12333147 0.91 CYP2C9 (0.55) CYP2C9KCNH2CYP3A4
SCHEMBL14841211 0.84 PRCP (0.52) CYP2C9PRCPCYP3A4
SCHEMBL14655216 0.84 PRCP (0.52) CYP2C9PRCPCYP3A4
SCHEMBL14655234 0.83 PRCP (0.36) PRCP
SCHEMBL2451189 0.83 KCNH2 (0.35) CYP2C9KCNH2PRCP
SCHEMBL2453490 0.83 KCNH2 (0.35) CYP2C9KCNH2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 EP 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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP CYP2C9 2576/4885KCNH2 2848/4885PRCP 1372/4885

“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.