Sugi Predict

Sugi Predict / Compounds / SCHEMBL14911366

SCHEMBL14911366

SCHEMBL14911366

CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1OS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ STS P08842 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ F13A1 P00488 2/20 0.42
▸ TGM2 P21980 2/20 0.42
▸ TGM1 P22735 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP13 P45452 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
SCHEMBL4119245 1.00 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL11978472 1.00 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14909934 0.93 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14909933 0.93 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL376172 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28840263 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20121078 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28542087 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL27172329 0.88 P2RX7 (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL18258160 0.87 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT

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
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US 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 PDE4B 1256/4885SMN1; SMN2 2190/4885NPC1 1367/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE4B 2918/4885SMN1; SMN2 2557/4885NPC1 4325/4885

“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.