Sugi Predict

Sugi Predict / Compounds / SCHEMBL6447284

SCHEMBL6447284

SCHEMBL6447284

CC(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PLA2G5 P39877 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6447936 1.00 RAB9A (0.49) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL21898077 0.88 RAB9A (0.42) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15429747 0.87 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5711205 0.83 KDM4E (0.43) SMN1; SMN2ALDH1A1MEN1KMT2APKM
SCHEMBL6447920 0.83 KDM4E (0.43) SMN1; SMN2ALDH1A1MEN1KMT2APKM
SCHEMBL7270034 0.81 KDM4E (0.42) SMN1; SMN2ALDH1A1MEN1KMT2APKM
Lithium SCHEMBL7270041 0.81 KDM4E (0.42) SMN1; SMN2ALDH1A1MEN1KMT2APKM
SCHEMBL7339055 0.81 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7339063 0.81 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13965465 0.80 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2ALDH1A1PKMCYP1A2

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 RAB9A 362/4885SMN1; SMN2 1200/4885ALDH1A1 889/4885

“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.