SCHEMBL4842636

SCHEMBL4842636

CC(Nc1nc(Oc2ccc(F)cc2)nc2[nH]nc(-c3ccccc3Cl)c12)NS(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 4/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
SCN9A Q15858 1/20 0.32
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAP2K7 O14733 1/20 0.30
MAP2K4 P45985 1/20 0.30

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
SCHEMBL4841726 0.85 DGAT2 (0.36) DGAT2PTGS2PTGS1L3MBTL1
SCHEMBL4841715 0.83 DGAT2 (0.32) DGAT2PTGS2PTGS1PDE2APDE10A
SCHEMBL4841759 0.82 PTGS2 (0.34) DGAT2PTGS2PTGS1SCN9APDE2A
SCHEMBL14018946 0.79 SCN9A (0.34) DGAT2SCN9APDE2APDE10A
SCHEMBL4833086 0.79 SCN9A (0.34) DGAT2SCN9APDE2APDE10A
SCHEMBL4842631 0.78 L3MBTL1 (0.34) DGAT2PTGS2SCN9APDE2APDE10A
SCHEMBL4837740 0.76 SCN9A (0.36) DGAT2SCN9APDE2APDE10A
SCHEMBL14018795 0.72 CXCR2 (0.38) DGAT2
SCHEMBL4833090 0.72 CXCR2 (0.38) DGAT2
SCHEMBL4840856 0.71 MAPK14 (0.45)

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-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 DGAT2 4662/4885PTGS2 964/4885PTGS1 685/4885

“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.