SCHEMBL19325973

SCHEMBL19325973

CC1(C)CCc2sc(NC(=O)c3cccc(CNN)c3)c(C(=O)O)c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB7A P51149 5/20 0.59
▸ SLC34A2 O95436 2/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ TP53 P04637 1/20 0.52
▸ RAB9A P51151 5/20 0.50
▸ POLB P06746 2/20 0.50
▸ NOD1 Q9Y239 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KIF11 P52732 1/20 0.47
▸ FABP4 P15090 1/20 0.44

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
SCHEMBL19321159 0.92 RAB7A (0.60) RAB7ASLC34A2MEN1KMT2ANPC1
SCHEMBL19325776 0.89 RAB7A (0.61) RAB7AMEN1KMT2ANPC1MAPT
SCHEMBL19326363 0.86 RAB7A (0.52) RAB7ASLC34A2MEN1KMT2ANPC1
SCHEMBL21247382 0.84 RAB7A (0.80) RAB7AMEN1KMT2ANPC1MAPT
SCHEMBL19326139 0.81 RAB7A (0.49) RAB7AMEN1KMT2ANPC1MAPT
SCHEMBL19326206 0.81 RAB7A (0.55) RAB7AMEN1KMT2ANPC1MAPT
SCHEMBL19325636 0.81 RAB7A (0.59) RAB7AMEN1KMT2ANPC1MAPT
SCHEMBL19325850 0.81 RAB7A (0.44) RAB7ASLC34A2KMT2ANPC1MAPT
SCHEMBL19326367 0.81 RAB7A (0.49) RAB7ASLC34A2MEN1KMT2ANPC1
SCHEMBL19325820 0.81 RAB7A (0.54) RAB7AMEN1KMT2ANPC1MAPT

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 1008/4885SLC34A2 1471/4885MEN1 4668/4885

“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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