SCHEMBL1962404

SCHEMBL1962404

O=C(CC1CCCC1)c1cc2cc(C(F)(F)F)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.37
CCR6 P51684 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE5A O76074 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35

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
SCHEMBL1959282 0.87 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPDE5APDE4A
SCHEMBL1962993 0.85 PDE5A (0.38) ALDH1A1PPARGPPARAKDM4EKMT2A
SCHEMBL1958748 0.83 FKBP1A (0.38) KMT2ALMNAMAPTHTT
SCHEMBL1960226 0.82 FKBP1A (0.38) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL1961946 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ECNR1LMNA
SCHEMBL1959207 0.81 AADAT (0.36) ALDH1A1HPGDLMNAMAPT
SCHEMBL1958747 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ALMNA
SCHEMBL1962048 0.81 ALDH1A1 (0.39) ALDH1A1USP2GAAHPGDNPSR1
SCHEMBL1959963 0.80 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPDE5APDE4A
SCHEMBL1959015 0.79 RIPK1 (0.38) ALDH1A1NPSR1LMNAMAPTHTT

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-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 769/4885USP2 2799/4885GAA 55/4885

“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.