SCHEMBL10158653

SCHEMBL10158653

CCc1ccc(CF)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RIPK1 Q13546 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
S1PR1 P21453 1/20 0.32
IDO1 P14902 1/20 0.31
AGXT P21549 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL10240551 0.86 TRPA1 (0.43) BACE1KDM4CLMNAKDM4ETP53
SCHEMBL14402511 0.83 BACE1 (0.40) BACE1LMNAKDM4ETP53MAPT
SCHEMBL15308657 0.83 TRPA1 (0.40) BACE1KDM4CLMNATP53MAPT
SCHEMBL14491132 0.81 CYP4F2 (0.47) BACE1KDM4CLMNAKDM4ETP53
SCHEMBL13226798 0.81 CYP4F2 (0.37) BACE1KDM4CLMNAKDM4ETP53
SCHEMBL24160346 0.81 KDM4C (0.35) BACE1KDM4CLMNAKDM4ETP53
SCHEMBL15495007 0.81 CNR1 (0.44) BACE1LMNATP53MAPTHSD17B10
SCHEMBL1695325 0.81 CSNK2A1 (0.45) BACE1KDM4CTAAR1GAA
SCHEMBL29277336 0.81 KDM4C (0.35) BACE1KDM4CLMNAKDM4ETP53
SCHEMBL15256477 0.80 DHFR (0.38) BACE1LMNAKDM4ETP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
EP-2220095-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2013-01-02 EP disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 BACE1 3094/4885KDM4C 1115/4885LMNA 3535/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E BACE1 2836/4885KDM4C 2226/4885LMNA 4290/4885

“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.