SCHEMBL4564307

SCHEMBL4564307

CCCCCc1noc(C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BID P55957 3/20 0.39
▸ MCL1 Q07820 3/20 0.39
▸ BCL2L1 Q07817 2/20 0.39
▸ BAK1 Q16611 2/20 0.39
▸ KAT8 Q9H7Z6 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ KAT2A Q92830 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KAT5 Q92993 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11558919 0.81 TSHR (0.56) GAANPC1RAB9ATP53BID
SCHEMBL2056999 0.80 NPSR1 (0.53) NPC1RAB9ANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL11558930 0.80 TSHR (0.55) GAANPC1RAB9ATP53BID
SCHEMBL11522802 0.80 GAA (0.44) GAANPC1RAB9ATP53NPSR1
SCHEMBL9536320 0.78 PPARA (0.38) GAABIDMCL1BCL2L1BAK1
SCHEMBL11557193 0.78 TSHR (0.56) GAANPC1RAB9ATP53BID
SCHEMBL108853 0.78 ALDH1A1 (0.42) GAATP53MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL11561219 0.77 TSHR (0.55) GAANPC1RAB9ATP53BID
SCHEMBL30437790 0.76 PPARA (0.39) NPC1RAB9ABIDMCL1BCL2L1
SCHEMBL11418567 0.75 NPC1 (0.40) NPC1RAB9ABIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 — — US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 — — US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 — — US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — 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 (2 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-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 GAA 140/4885NPC1 1374/4885RAB9A 1220/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 GAA 40/4885NPC1 531/4885RAB9A 558/4885

“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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