SCHEMBL2949853

SCHEMBL2949853

COC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
HDAC1 Q13547 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL2954245 1.00 KCNN4 (0.42) KCNN4CTSSCTSKHDAC1MAPT
SCHEMBL2947195 0.93 CTSS (0.43) CTSSCTSKHDAC1MAPTNPC1
SCHEMBL2947196 0.93 CTSS (0.43) CTSSCTSKHDAC1MAPTNPC1
SCHEMBL20608008 0.91 KCNN4 (0.51) KCNN4CTSSCTSKHDAC1MAPT
SCHEMBL2953651 0.88 CTSS (0.46) CTSSCTSKHDAC1MAPTNPC1
SCHEMBL2953653 0.88 CTSS (0.46) CTSSCTSKHDAC1MAPTNPC1
SCHEMBL19347771 0.84 MIF (0.46) KCNN4CTSSCTSKNPC1LMNA
SCHEMBL13099832 0.83 KCNN4 (0.44) KCNN4CTSSCTSKHDAC1MAPT
SCHEMBL18053708 0.82 PTPRB (0.38) KCNN4MAPTNPC1GAARAB9A
SCHEMBL18037868 0.82 PTPRB (0.38) KCNN4MAPTNPC1GAARAB9A

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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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 (2 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KCNN4 3708/4885CTSS 88/4885CTSK 248/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KCNN4 3708/4885CTSS 88/4885CTSK 248/4885

“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.