SCHEMBL288168

SCHEMBL288168

COc1c(C(=O)O)ccc(F)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2A P08913 1/20 0.37
CLCN2 P51788 1/20 0.37
APEX1 P27695 1/20 0.37
EPRS1 P07814 1/20 0.37
MYC P01106 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL6215307 0.85 TDP1 (0.50) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL12756987 0.83 TDP1 (0.49) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL1919502 0.81 TDP1 (0.50) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL1262499 0.81 L3MBTL1 (0.45) ALDH1A1LMNAMAPK1HTT
SCHEMBL20516073 0.80 TDP1 (0.46) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL1505827 0.80 TDP1 (0.61) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL4309406 0.79 MAPT (0.62) TDP1MAPTALDH1A1HSD17B10LMNA
SCHEMBL6474772 0.79 TDP1 (0.58) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL606872 0.79 TDP1 (0.49) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL14472134 0.78 CYP1A2 (0.44) ALDH1A1HSD17B10KDM4EHPGDCYP1A2

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-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-10072007-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2018-09-11 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
CN-103096893-A Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RES INC 2013-05-08 CN disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
EP-2427425-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
WO-2010129057-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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 (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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A TDP1 1640/4885MAPT 103/4885ALDH1A1 2605/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A TDP1 1640/4885MAPT 103/4885ALDH1A1 2605/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A TDP1 1640/4885MAPT 103/4885ALDH1A1 2605/4885
US-10072007-B2 Tetracycline compounds TUBB, TUBA1C, TUBA1A TDP1 1640/4885MAPT 103/4885ALDH1A1 2605/4885

“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.