SCHEMBL13601624

SCHEMBL13601624

CC1(C)OB(c2cccc(C(F)(F)F)c2C(F)(F)F)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.37
LIPG Q9Y5X9 7/20 0.37
HSD11B1 P28845 1/20 0.36
LIPE Q05469 7/20 0.35
JAK2 O60674 2/20 0.33
BTK Q06187 2/20 0.33
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL13601622 0.85 JAK2 (0.40) LPLLIPGLIPEJAK2BTK
SCHEMBL29382961 0.84 LPL (0.43) LPLLIPGHSD11B1LIPEF2
SCHEMBL9755 0.84 LPL (0.43) LPLLIPGHSD11B1LIPEF2
SCHEMBL24457824 0.83 LPL (0.36) LPLLIPGLIPEJAK2BTK
SCHEMBL23043096 0.83 JAK2 (0.39) LPLLIPGLIPEJAK2BTK
SCHEMBL31440036 0.83 LPL (0.39) LPLLIPGLIPEJAK2BTK
SCHEMBL17315234 0.83 JAK2 (0.41) LPLLIPGLIPEJAK2BTK
SCHEMBL4879042 0.83 LPL (0.39) LPLLIPGLIPEJAK2BTK
SCHEMBL23043322 0.80 LPL (0.36) LPLLIPGLIPEJAK2BTK
SCHEMBL29418644 0.80 LPL (0.36) LPLLIPGLIPEJAK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 LPL 2323/4885LIPG 1130/4885HSD11B1 2424/4885

“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.