SCHEMBL19326367

SCHEMBL19326367

Cn1cc(CNN)cc1C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB7A P51149 1/20 0.49
▸ KIF11 P52732 2/20 0.43
▸ FABP4 P15090 3/20 0.40
▸ FABP5 Q01469 3/20 0.40
▸ MAPT P10636 6/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SLC34A2 O95436 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 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
SCHEMBL19321169 0.92 RAB7A (0.50) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19325776 0.82 RAB7A (0.61) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19325973 0.81 RAB7A (0.59) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19326363 0.80 RAB7A (0.52) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19326139 0.79 RAB7A (0.49) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19326360 0.78 RAB7A (0.53) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19326146 0.77 RAB7A (0.55) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19326291 0.77 RAB7A (0.52) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19325636 0.77 RAB7A (0.59) RAB7AKIF11FABP4FABP5MAPT
SCHEMBL19325747 0.77 RAB7A (0.52) RAB7AKIF11FABP4FABP5MAPT

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 RAB7A 1008/4885KIF11 4397/4885FABP4 4560/4885

“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.

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