SCHEMBL14923540

SCHEMBL14923540

C[C@H](NC(=O)OC(C)(C)C)C(O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.43
CTSK P43235 8/20 0.40
CTSS P25774 4/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
BTK Q06187 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
PREP P48147 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL20473324 1.00 CA1 (0.45) CA1CA2CA7CYP2D6KMT2A
SCHEMBL12682094 1.00 CA1 (0.45) CA1CA2CA7CYP2D6KMT2A
SCHEMBL14923610 0.93 BTK (0.45) CA1CA2CA7CYP2D6KMT2A
SCHEMBL20470280 0.93 GAA (0.44) CA1CA2CA7CYP2D6KMT2A
SCHEMBL4971674 0.93 GAA (0.44) CA1CA2CA7CYP2D6KMT2A
SCHEMBL24388748 0.93 BTK (0.45) CA1CA2CA7CYP2D6KMT2A
SCHEMBL14931125 0.93 BTK (0.45) CA1CA2CA7CYP2D6KMT2A
SCHEMBL22535888 0.93 GAA (0.44) CA1CA2CA7CYP2D6KMT2A
SCHEMBL22506436 0.93 GAA (0.44) CA1CA2CA7CYP2D6KMT2A
SCHEMBL13636231 0.92 GAA (0.47) CA1CA2CA7CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024226-B Novel nicotinamide derivative or salt thereof FUJIFILM CORP. (JP) 2016-06-01 CN disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
CN-104024226-A Novel nicotinamide derivative or salt thereof FUJIFILM CORP 2014-09-03 CN disclosed
US-8809371-B2 2014-08-19 US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CA1 3179/4885CA2 688/4885CA7 2926/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 CA1 3493/4885CA2 710/4885CA7 3535/4885

“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.