SCHEMBL19320889

SCHEMBL19320889

COCc1ccccc1-c1sc2ccccc2c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
ESR1 P03372 1/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CNR2 P34972 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
CNR1 P21554 3/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.41
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HSP90AA1 P07900 1/20 0.39
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MCL1 Q07820 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 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
SCHEMBL19325955 0.87 L3MBTL1 (0.45) L3MBTL1ESR1LMNAMAPK1CNR2
SCHEMBL19321470 0.77 ALDH1A1 (0.44) ESR1LMNATDP1
SCHEMBL19320843 0.77 ESR1 (0.43) ESR1MCL1
SCHEMBL19321485 0.76 GRM6 (0.41) ESR1
SCHEMBL19320883 0.75 GSR (0.38) L3MBTL1ESR1LMNATDP1NPC1
SCHEMBL19320876 0.75 MAPT (0.44) L3MBTL1LMNACNR2TDP1NPC1
SCHEMBL19320877 0.74 MEN1 (0.46) L3MBTL1LMNACNR2TDP1NPC1
SCHEMBL19320878 0.74 MEN1 (0.46) L3MBTL1LMNACNR2TDP1NPC1
SCHEMBL19321486 0.73 KMT2A (0.36) ESR1LMNACNR2CNR1ATM
SCHEMBL19320884 0.73 CACNA1G (0.38) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 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 (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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 L3MBTL1 1493/4885ESR1 229/4885LMNA 4384/4885

“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.