SCHEMBL642708

SCHEMBL642708

COCc1nnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3c(c2)OC(C)(C)C3)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
BRD4 O60885 1/20 0.49
GCK P35557 8/20 0.44
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL643512 0.92 NPC1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2GCK
SCHEMBL644653 0.88 GCK (0.44) NPC1RAB9ASMN1; SMN2GCKKCNH2
SCHEMBL643566 0.85 LMNA (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2GCK
SCHEMBL644672 0.79 GCK (0.51) GCKKCNH2
SCHEMBL642344 0.78 GCK (0.41) RAB9ASMN1; SMN2GCKTSHRKCNH2
SCHEMBL643193 0.78 GCK (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL643258 0.78 GCK (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL2663386 0.78 GCK (0.47) GCKKCNH2
SCHEMBL645563 0.77 GCK (0.49) NPC1RAB9ASMN1; SMN2GCKKCNH2
SCHEMBL643664 0.77 GCK (0.58) NPC1RAB9AGCKKCNH2

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-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 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 (2 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 ALDH1A1 1370/4885NPC1 1969/4885RAB9A 2949/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 ALDH1A1 1370/4885NPC1 1969/4885RAB9A 2949/4885

“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.