Sugi Predict

Sugi Predict / Compounds / SCHEMBL14923587

SCHEMBL14923587

SCHEMBL14923587

CC(C)C[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.48
▸ MMP1 P03956 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ ELANE P08246 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MALT1 Q9UDY8 1/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ CTRB1 P17538 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3360335 1.00 AAK1 (0.48) AAK1MMP1MMP2MMP3MMP8
SCHEMBL10265551 1.00 AAK1 (0.48) AAK1MMP1MMP2MMP3MMP8
SCHEMBL29323073 0.90 SYK (0.42) AAK1MMP1MMP2MMP3MMP8
SCHEMBL14923696 0.88 SYK (0.48) MMP1MMP2MMP3MMP8MMP13
SCHEMBL38666089 0.88 SYK (0.48) MMP1MMP2MMP3MMP8MMP13
SCHEMBL14923507 0.88 SYK (0.48) MMP1MMP2MMP3MMP8MMP13
SCHEMBL22806326 0.86 ATM (0.44) MMP1MMP2MMP3MMP8MMP13
SCHEMBL12719489 0.86 ATM (0.44) MMP1MMP2MMP3MMP8MMP13
SCHEMBL24074196 0.86 MALT1 (0.49) ATMMALT1AKT1KCNA5MEN1
SCHEMBL20757361 0.86 ATM (0.42) AAK1MMP1MMP2MMP3MMP8

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
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 — — EP 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
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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 — — CN 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 AAK1 1635/4885MMP1 2912/4885MMP2 3749/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 AAK1 1519/4885MMP1 2303/4885MMP2 3147/4885

“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.