SCHEMBL14033348

SCHEMBL14033348

OOSc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
TERT O14746 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
FBP1 P09467 1/20 0.31
IDO1 P14902 3/20 0.31

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
SCHEMBL2734944 0.80 ORAI1 (0.32) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL7183452 0.78 CA1 (0.36) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL12876026 0.77 HTT (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14903144 0.74 CYP2A6 (0.42) CES2CES1CA1CA2TERT
SCHEMBL12222709 0.74 ACHE (0.42) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL15097476 0.74 ACHE (0.39) CA1CA2CA7CA9ACHE
SCHEMBL10229046 0.73 KIF11 (0.41) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL27382881 0.70 LMNA (0.40) CES2CES1CA1CA2MEN1
SCHEMBL28218126 0.70 CES2 (0.38) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL12155241 0.70 IDO1 (0.38) CA1CA2CA7CA9ACHE

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-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-7323584-B2 Process for preparing N-(4′-cyano-3′-trifluoromethylphenyl)-3-(4″-fluorophenylsulfonyl)-2-hydroxy-2-methylpropionamide HELM AG (DE) 2008-01-29 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD ORAI1 4741/4885ORAI2 4519/4885ORAI3 4595/4885

“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.