SCHEMBL1914033

SCHEMBL1914033

C[C@H]1C[C@@H](c2ncc(I)[nH]2)N(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GAA P10253 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
SCHEMBL13505208 1.00 CYP2C9 (0.33) CYP2C9KCNH2GAA
SCHEMBL12531090 0.83 SMN1; SMN2 (0.40) CYP2C9KCNH2
SCHEMBL1914160 0.83 HPGDS (0.36) CYP2C9KCNH2
SCHEMBL15586266 0.83 HPGDS (0.36) CYP2C9KCNH2
SCHEMBL1914159 0.83 HPGDS (0.36) CYP2C9KCNH2
SCHEMBL14848753 0.83 HPGDS (0.36) CYP2C9KCNH2
SCHEMBL6126630 0.81 CYP2C9 (0.46) CYP2C9KCNH2
SCHEMBL21771774 0.80 MAPK1 (0.30) —
SCHEMBL15355453 0.80 CYP2C9 (0.36) CYP2C9KCNH2
SCHEMBL1314945 0.77 CYP2C9 (0.43) CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — US disclosed
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 — — US disclosed
EP-2550278-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 — — EP disclosed
EP-2515902-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2012-10-31 — — EP disclosed
WO-2011079327-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 — — 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 (2 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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 CYP2C9 2610/4885KCNH2 2654/4885GAA 2272/4885
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B CYP2C9 2600/4885KCNH2 2881/4885GAA 2809/4885

“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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