SCHEMBL10444499

SCHEMBL10444499

Cc1ccc2c(c1)CSc1ccccc1C2C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
GAA P10253 2/20 0.38
RCE1 Q9Y256 2/20 0.36
HSD17B3 P37058 1/20 0.36
HTR2A P28223 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EPHX2 P34913 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL10444285 0.86 RCE1 (0.45) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10188321 0.85 ALDH1A1 (0.51) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10443992 0.84 ALDH1A1 (0.38) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL22508372 0.84 ALDH1A1 (0.38) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10444568 0.84 MAPT (0.38) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL20101895 0.84 ALDH1A1 (0.38) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10446632 0.81 HSD17B3 (0.40) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10444559 0.81 ALDH1A1 (0.36) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10446740 0.81 DRD2 (0.37) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL20101878 0.80 ALDH1A1 (0.39) MAPTALDH1A1TDP1HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2016-12-22 US disclosed
US-9469638-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2016-10-18 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 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 (5 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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MAPT 4568/4885ALDH1A1 1564/4885TDP1 293/4885
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 MAPT 4224/4885ALDH1A1 1937/4885TDP1 234/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 MAPT 4280/4885ALDH1A1 1813/4885TDP1 307/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 MAPT 4280/4885ALDH1A1 1813/4885TDP1 307/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MAPT 4568/4885ALDH1A1 1564/4885TDP1 293/4885

“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.