SCHEMBL3546220

SCHEMBL3546220

C[C@H](NC(=O)OC(C)(C)C)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
CTSK P43235 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
CXCR2 P25025 1/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
CTSS P25774 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
MMP13 P45452 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
SCHEMBL6628888 1.00 GABRB1 (0.46) GABRB1GABRB2CTSKPOLBMEN1
SCHEMBL781651 1.00 GABRB1 (0.46) GABRB1GABRB2CTSKPOLBMEN1
SCHEMBL27711836 0.98 GABRB1 (0.44) GABRB1GABRB2CTSKPOLBMEN1
SCHEMBL27711839 0.98 GABRB1 (0.44) GABRB1GABRB2CTSKPOLBMEN1
SCHEMBL8225139 0.82 POLB (0.57) POLBMEN1LMNAHTTKMT2A
SCHEMBL6484180 0.82 POLB (0.57) POLBMEN1LMNAHTTKMT2A
SCHEMBL6204577 0.82 POLB (0.57) POLBMEN1LMNAHTTKMT2A
SCHEMBL1828142 0.82 GPR17 (0.43) CTSKMEN1LMNAKMT2AMAPT
SCHEMBL24675689 0.80 LMNA (0.48) CTSKMEN1LMNAKMT2ACTSS
SCHEMBL29586393 0.79 ROCK1 (0.49) CTSKPOLBMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A GABRB1 4549/4885GABRB2 4681/4885CTSK 3385/4885

“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.