SCHEMBL1892976

SCHEMBL1892976

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3nc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@H](C(C)C)N(C)C(=O)OC(=O)C(F)(F)F)n5)cc4)cnc3c2)[nH]1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 7/20 0.45
CYP2C9 P11712 5/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 1/20 0.45
NR1I2 O75469 2/20 0.44
ABCB11 O95342 1/20 0.44
OPRK1 P41145 1/20 0.44
PRCP P42785 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1892972 0.94 KCNH2 (0.47) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL1887837 0.94 KCNH2 (0.47) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1043935 0.92 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL984678 0.92 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1888523 0.92 CYP3A4 (0.55) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1895744 0.91 CYP3A4 (0.47) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1885984 0.91 CYP3A4 (0.47) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1884813 0.90 CYP3A4 (0.46) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1892619 0.90 CYP3A4 (0.45) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1893334 0.90 CYP3A4 (0.49) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS KCNH2 4035/4885CYP3A4 237/4885CYP2C9 322/4885

“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.