SCHEMBL19320875

SCHEMBL19320875

COCc1ccccc1-c1sc2c(c1C(=O)O)CCC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 8/20 0.47
CACNA1H O95180 8/20 0.47
CACNA1I Q9P0X4 8/20 0.47
RAB7A P51149 1/20 0.40
SLC34A2 O95436 2/20 0.39
KIF11 P52732 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19320826 0.92 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IRAB7ASLC34A2
SCHEMBL19325599 0.91 PDE4B (0.39) CACNA1GCACNA1HCACNA1IRAB7ASLC34A2
SCHEMBL19320886 0.88 CNR2 (0.47) CACNA1GCACNA1HCACNA1IFABP4FABP5
SCHEMBL19320876 0.83 MAPT (0.44) CNR2ALDH1A1HPGDLMNAHTT
SCHEMBL19320860 0.82 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IRAB7ASLC34A2
SCHEMBL19320878 0.82 MEN1 (0.46) CNR2ALDH1A1HPGDLMNAHTT
SCHEMBL19320877 0.82 MEN1 (0.46) CNR2ALDH1A1HPGDLMNAHTT
SCHEMBL19320828 0.82 CNR2 (0.39) CACNA1GCACNA1HCACNA1IRAB7ACNR2
SCHEMBL19325531 0.82 RAB7A (0.46) CACNA1GCACNA1HCACNA1IRAB7ASLC34A2
SCHEMBL19321474 0.81 PTPN1 (0.41) CACNA1GCACNA1HCACNA1IALDH1A1HPGD

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 CACNA1G 3034/4885CACNA1H 2888/4885CACNA1I 2662/4885

“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.