SCHEMBL5586794

SCHEMBL5586794

C[C@H](Cc1ccc(CC(=O)O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ACE P12821 1/20 0.45
ACACB O00763 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARA Q07869 2/20 0.43
PPARG P37231 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
SCHEMBL3676162 0.87 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL29401299 0.87 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL12203694 0.87 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL3676166 0.87 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL4276615 0.87 CTSS (0.49) ATMCTSSCTSKCTSLCTSB
SCHEMBL3621416 0.87 CTSS (0.49) ATMCTSSCTSKCTSLCTSB
SCHEMBL7622841 0.86 ACACB (0.56) ATMCTSSCTSKCTSLCTSB
SCHEMBL2742779 0.85 ACACB (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL13446081 0.85 CTSS (0.60) ATMCTSSCTSKCTSLCTSB
SCHEMBL14588983 0.85 ACACB (0.54) ATMCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 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 (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-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 ATM 3559/4885CTSS 823/4885CTSK 1325/4885

“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.