SCHEMBL4811289

SCHEMBL4811289

NC(=O)OCCSC(C(=O)NCc1ccccc1)C(O)[CH]Cc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
SCN5A Q14524 3/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CACNA1C Q13936 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL4816788 0.84 BACE1 (0.33) BACE1BACE2
SCHEMBL4818602 0.80 MAPT (0.38) ALDH1A1LMNABACE1PSMB1CTSD
SCHEMBL6567682 0.74 SCN5A (0.43) SCN9ASCN5ACYP3A4POLBRAB9A
SCHEMBL4811294 0.73 SCN9A (0.41) SCN9ASCN5ATP53CYP3A4POLB
SCHEMBL4814117 0.65 NPC1 (0.35) TP53POLBRAB9ACA12CA1
SCHEMBL16103396 0.63 CYP2D6 (0.49) SCN9ARAB9AALDH1A1TSHRLMNA
SCHEMBL13151632 0.63 CYP2D6 (0.49) SCN9ARAB9AALDH1A1TSHRLMNA
SCHEMBL7491376 0.62 LMNA (0.41) LMNACYP2D6MAPTL3MBTL1
SCHEMBL5023233 0.62 MMP8 (0.60) ALDH1A1
SCHEMBL29253655 0.61 KMT2A (0.61) SCN9AALDH1A1TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354943-B2 Statine derivatives for the treatment of Alzheimer's disease PHARMACIA & UPJOHN (US) 2008-04-08 US claimed
US-20050165069-A1 Statine derivatives for the treatment of Alzheimer's disease ALZHEIMER'S COLLABORATION 2005-07-28 US claimed
US-20050159459-A1 Statine derivatives for the treatment of Alzheimer's disease ALZHEIMER'S COLLABORATION 2005-07-21 US claimed
US-20030083356-A1 Statine derivatives for the treatment of Alzheimer's disease PHARMACIA & UPJOHN 2003-05-01 US claimed
US-7358264-B2 Statine derivatives for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY (US) 2008-04-15 US disclosed
US-7354943-B2 Statine derivatives for the treatment of Alzheimer's disease PHARMACIA & UPJOHN (US) 2008-04-08 US disclosed
US-20050165069-A1 Statine derivatives for the treatment of Alzheimer's disease ALZHEIMER'S COLLABORATION 2005-07-28 US disclosed
US-20050159459-A1 Statine derivatives for the treatment of Alzheimer's disease ALZHEIMER'S COLLABORATION 2005-07-21 US disclosed
US-6864290-B2 Statine derivatives for the treatment of Alzheimer's disease PHARMACIA & UPJOHN, LLP (US) 2005-03-08 US disclosed
US-20030083356-A1 Statine derivatives for the treatment of Alzheimer's disease PHARMACIA & UPJOHN 2003-05-01 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 (3 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-20050165069-A1 Statine derivatives for the treatment of Alzheimer's disease BACE1, APP, BACE2 SCN9A 2355/4885SCN5A 1457/4885TP53 3500/4885
US-20050159459-A1 Statine derivatives for the treatment of Alzheimer's disease BACE1, APP, BACE2 SCN9A 2355/4885SCN5A 1457/4885TP53 3500/4885
US-20030083356-A1 Statine derivatives for the treatment of Alzheimer's disease BACE1, APP, BACE2 SCN9A 2386/4885SCN5A 1443/4885TP53 3710/4885

“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.