SCHEMBL12332111

SCHEMBL12332111

CC(=O)Nc1ccc(C23CCC(C(=O)O)(CC2)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MB P02144 1/20 0.46

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
SCHEMBL12332112 0.84 NPC1 (0.54) NPC1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL12302270 0.83 NPC1 (0.59) NPC1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL12302267 0.80 NPC1 (0.69) NPC1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL31488881 0.80 PSMB8 (0.43) CA12BRD4CA1CA9DGAT1
SCHEMBL13965224 0.75 AKR1C1 (0.58) NPC1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL2452042 0.75 PNMT (0.59) HTTKMT2AMEN1DGAT1SOAT1
SCHEMBL31489188 0.75 NAMPT (0.57) NPC1SMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL22027277 0.73 DGAT1 (0.46) NPC1SMN1; SMN2L3MBTL1MAPTKMT2A
SCHEMBL28014562 0.72 NPC1 (0.58) NPC1SMN1; SMN2L3MBTL1HTTNAPRT
SCHEMBL22445036 0.72 NPC1 (1.00) NPC1SMN1; SMN2MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
EP-2774927-A1 Inhibitors of HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2014-09-10 — — EP disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
WO-2010065681-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO 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-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 NPC1 368/4885SMN1; SMN2 4778/4885L3MBTL1 2576/4885

“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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