SCHEMBL6446972

SCHEMBL6446972

CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.60
HSPA8 P11142 1/20 0.60
HSPA9 P38646 1/20 0.60
HSPA2 P54652 1/20 0.60
DRD2 P14416 1/20 0.60
CCKAR P32238 1/20 0.59
MMP2 P08253 1/20 0.58
MMP14 P50281 1/20 0.58
LMNA P02545 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
GAA P10253 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
PYGL P06737 1/20 0.55
EGFR P00533 1/20 0.54

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
SCHEMBL6446970 1.00 HSPA5 (0.60) HSPA5HSPA8HSPA9HSPA2DRD2
SCHEMBL8670229 0.86 CCKAR (0.77) DRD2CCKARLMNANPC1RAB9A
SCHEMBL8670236 0.86 CCKAR (0.77) DRD2CCKARLMNANPC1RAB9A
SCHEMBL13753482 0.84 DRD2 (0.64) HSPA5HSPA8HSPA9HSPA2DRD2
SCHEMBL29949076 0.84 DRD2 (0.68) DRD2CCKARLMNANPC1RAB9A
SCHEMBL13753384 0.84 DRD2 (0.68) DRD2CCKARLMNANPC1RAB9A
SCHEMBL24380184 0.82 DRD2 (0.61) HSPA5HSPA8HSPA9HSPA2DRD2
SCHEMBL19476075 0.82 MEN1 (0.64) DRD2CCKARLMNANPC1RAB9A
SCHEMBL23722653 0.82 DRD2 (0.61) HSPA5HSPA8HSPA9HSPA2DRD2
SCHEMBL6883379 0.82 MEN1 (0.64) DRD2CCKARLMNANPC1RAB9A

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 HSPA5 2590/4885HSPA8 2139/4885HSPA9 598/4885

“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.