Sugi Predict

Sugi Predict / Compounds / SCHEMBL13680355

SCHEMBL13680355

SCHEMBL13680355

CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ncc(Br)cn6)n(C)c5c4)CCC3)n(C)c2c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.74
▸ CYP2C8 P10632 1/20 0.74
▸ CYP3A4 P08684 15/20 0.48
▸ CYP2C19 P33261 14/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ KCNH2 Q12809 1/20 0.44
▸ CYP2D6 P10635 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL13680371 0.99 CYP1A2 (0.74) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL12899660 0.95 CYP1A2 (0.68) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
Deleobuvir SCHEMBL900176 0.95 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
Deleobuvir SCHEMBL29379674 0.95 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
Deleobuvir SCHEMBL900174 0.95 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109353 0.94 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL13680356 0.93 CYP1A2 (0.66) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL13680382 0.92 CYP1A2 (0.68) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL12899607 0.90 CYP1A2 (0.64) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109363 0.90 CYP1A2 (0.70) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9

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-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 — — US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 — — US disclosed
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 — — US disclosed
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 — — US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 — — 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 (4 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-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST CYP1A2 182/4885CYP2C8 17/4885CYP3A4 133/4885
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION SLC10A1, HAVCR2, GOT2 CYP1A2 414/4885CYP2C8 400/4885CYP3A4 242/4885
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR SLC10A1, HAVCR2, ABL1 CYP1A2 2228/4885CYP2C8 1086/4885CYP3A4 1490/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 CYP1A2 2833/4885CYP2C8 1783/4885CYP3A4 1382/4885

“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.