SCHEMBL6447657

SCHEMBL6447657

CC(C)C(NC(=O)NCCN1CCOCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.46
CNR1 P21554 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6447668 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TSHRTDP1LMNACNR1
SCHEMBL6442995 0.80 SMN1; SMN2 (0.54) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
SCHEMBL6442998 0.80 SMN1; SMN2 (0.54) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
SCHEMBL6444514 0.80 TSHR (0.48) SMN1; SMN2TSHRTDP1LMNACNR1
SCHEMBL3897267 0.78 SMN1; SMN2 (0.60) SMN1; SMN2TSHRTDP1LMNACNR1
SCHEMBL6444920 0.78 ALDH1A1 (0.47) TSHRTDP1LMNAALDH1A1
SCHEMBL6444915 0.78 ALDH1A1 (0.47) TSHRTDP1LMNAALDH1A1
SCHEMBL13645777 0.78 TSHR (0.58) SMN1; SMN2TSHRTDP1LMNAALDH1A1
SCHEMBL6443372 0.77 TSHR (0.58) TSHRTDP1LMNAALDH1A1CA12
SCHEMBL6443366 0.77 TSHR (0.58) TSHRTDP1LMNAALDH1A1CA12

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 5 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-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 SMN1; SMN2 1200/4885TSHR 2585/4885TDP1 758/4885

“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.