SCHEMBL4547660

SCHEMBL4547660

Cc1c(F)cc(CO)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
P2RX7 Q99572 1/20 0.38
KIF11 P52732 1/20 0.34
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.32
TSHR P16473 1/20 0.32
SHBG P04278 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL22817375 0.81 CYP4F2 (0.41) CYP4F2CYP4A11MAPTTSHRHSD17B10
SCHEMBL15823224 0.78 ACHE (0.37) ACHECYP4F2CYP4A11P2RX7KIF11
SCHEMBL26166043 0.78 CYP4F2 (0.39) CYP4F2CYP4A11TSHR
SCHEMBL18553018 0.78 PTGS1 (0.40) HDAC1HDAC6
SCHEMBL13932538 0.78 HDAC1 (0.38) HDAC1HDAC6SHBG
SCHEMBL391375 0.78 ACHE (0.46) ACHECYP4F2CYP4A11P2RX7KIF11
SCHEMBL26166035 0.77 CYP4F2 (0.41) CYP4F2CYP4A11TSHRHSD17B10
SCHEMBL31255133 0.77 ACHE (0.36) ACHECYP4F2CYP4A11KIF11SHBG
SCHEMBL584236 0.77 TNKS2 (0.43) HDAC1HDAC6CYP4F2CYP4A11
SCHEMBL2642238 0.76 ACHE (0.50) ACHECYP4F2CYP4A11KIF11KDM4E

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
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed
WO-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ACHE 4715/4885HDAC1 1408/4885HDAC6 1845/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 ACHE 2952/4885HDAC1 1744/4885HDAC6 1012/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ACHE 4715/4885HDAC1 1408/4885HDAC6 1845/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ACHE 4715/4885HDAC1 1408/4885HDAC6 1845/4885

“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.