SCHEMBL1782352

SCHEMBL1782352

C=CCS(=O)(=O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HCAR2 Q8TDS4 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
LMNA P02545 4/20 0.45
TGM2 P21980 1/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL7047820 0.79 ALDH1A1 (0.55) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL7108921 0.78 ALDH1A1 (0.59) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL18679956 0.77 ALDH1A1 (0.57) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL13556930 0.75 ALDH1A1 (0.60) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL19728168 0.75 ALDH1A1 (0.60) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL8123878 0.75 CA1 (0.60) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL10781788 0.75 CA1 (0.51) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27508854 0.74 CA1 (0.58) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL1081854 0.74 CA2 (0.53) ALDH1A1HCAR2TDP1KMT2ACA9
SCHEMBL347596 0.74 ALDH1A1 (0.61) ALDH1A1HCAR2TDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118473-A1 PROCESS FOR CONVERTING 9-DIHYDRO-13ACETYLBACCATIN III PACLITAXEL AND DOCETAXEL 6570763 CANADA INC. (CA) 2011-05-19 US claimed
EP-2183234-A1 PROCESS FOR CONVERTING 9-DIHYDRO-13-ACETYLBACCATIN III INTO DOCETAXEL OR PACLITAXEL 6570763 Canada Inc. (CA) 2010-05-12 EP claimed
WO-2009023967-A1 PROCESS FOR CONVERTING 9-DIHYDRO-13-ACETYLBACCATIN III INTO DOCETAXEL OR PACLITAXEL 6570763 CANADA INC. (CA) 2009-02-26 WO claimed

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-20110118473-A1 PROCESS FOR CONVERTING 9-DIHYDRO-13ACETYLBACCATIN III PACLITAXEL AND DOCETAXEL H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TUBB6, TUBB3 ALDH1A1 813/4885HCAR2 2655/4885TDP1 3612/4885

“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.