SCHEMBL6445247

SCHEMBL6445247

CC(C)[C@H](NC(=O)C(Cc1ccccc1)C(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ ECE1 P42892 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ CTRB1 P17538 1/20 0.45

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
SCHEMBL6445241 1.00 MME (0.51) MMEALDH1A1ECE1POLBNPC1
SCHEMBL6445795 1.00 MME (0.51) MMEALDH1A1ECE1POLBNPC1
SCHEMBL6445798 1.00 MME (0.51) MMEALDH1A1ECE1POLBNPC1
SCHEMBL4434431 0.82 CTSC (0.57) MMEALDH1A1ECE1CTRB1
SCHEMBL9485864 0.82 CTSC (0.57) MMEALDH1A1ECE1CTRB1
SCHEMBL4434435 0.82 CTSC (0.57) MMEALDH1A1ECE1CTRB1
Hydrochloric Acid SCHEMBL30698079 0.81 CTSC (0.56) MMEALDH1A1ECE1CTRB1
SCHEMBL11114262 0.81 MME (0.58) MMEALDH1A1ECE1POLBNPC1
SCHEMBL11114258 0.81 MME (0.58) MMEALDH1A1ECE1POLBNPC1
SCHEMBL30051660 0.80 CTSD (0.55) MMEALDH1A1CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 — — EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 — — EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MME 11/4885ALDH1A1 889/4885ECE1 172/4885

“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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