SCHEMBL792034

SCHEMBL792034

COCc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
KIF11 P52732 2/20 0.46
BACE1 P56817 1/20 0.46
PDK2 Q15119 1/20 0.44
CASR P41180 3/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.39
KCNN4 O15554 1/20 0.39
AGXT P21549 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL4667598 0.83 TACR1 (0.60) TACR1FFAR1FFAR4KIF11BACE1
SCHEMBL10252337 0.81 FFAR1 (0.48) TACR1FFAR1FFAR4PDK2KCNN4
SCHEMBL13675366 0.81 KIF11 (0.50) TACR1FFAR1FFAR4KIF11BACE1
SCHEMBL29788053 0.80 DPP4 (0.54) TACR1FFAR1FFAR4PDK2KCNN4
SCHEMBL792032 0.80 DPP4 (0.54) TACR1FFAR1FFAR4PDK2KCNN4
SCHEMBL19320840 0.79 RAB9A (0.42) TACR1FFAR1FFAR4RAB9AMCL1
SCHEMBL4453918 0.79 ABL1 (0.51) FFAR1FFAR4BACE1PDK2KCNN4
SCHEMBL1338590 0.79 FFAR1 (0.46) TACR1FFAR1FFAR4PDK2KCNN4
SCHEMBL5198493 0.79 PDK2 (0.53) TACR1FFAR1FFAR4KIF11BACE1
SCHEMBL18014699 0.78 KIF11 (0.47) TACR1FFAR1FFAR4KIF11BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 TACR1 1420/4885FFAR1 4509/4885FFAR4 4537/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI TACR1 1954/4885FFAR1 4693/4885FFAR4 4607/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TACR1 1954/4885FFAR1 4693/4885FFAR4 4607/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TACR1 1420/4885FFAR1 4509/4885FFAR4 4537/4885

“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.