SCHEMBL7008683

SCHEMBL7008683

CCOC(=O)c1cc(F)c(F)c(CO)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 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
SCHEMBL13341770 0.89 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL3552780 0.86 CYP4F2 (0.46) TSHRCA12CA1CA2CA7
SCHEMBL2001481 0.84 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL12338140 0.83 SLC6A4 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL3552305 0.83 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL2184188 0.81 TSHR (0.48) TSHRCA12CA1CA2CA7
SCHEMBL11948047 0.81 NPC1 (0.50) TSHRCA12CA1CA2CA9
SCHEMBL11947932 0.80 CYP3A4 (0.49) TSHRALDH1A1LMNATP53KDM4E
SCHEMBL7813719 0.80 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL12340228 0.80 KMT2A (0.36) TSHRKMT2AGAA

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-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP 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-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 TSHR 2894/4885CA12 492/4885CA1 734/4885

“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.