SCHEMBL13569652

SCHEMBL13569652

CN(C(=O)OC(C)(C)C)C1CN(C(=O)OCc2ccccc2)CC1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
USP30 Q70CQ3 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PARP1 P09874 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 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
SCHEMBL28693156 1.00 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL30194981 0.92 SIGMAR1 (0.49) SIGMAR1PDK1PDK2PDK3PDK4
SCHEMBL27427346 0.92 SIGMAR1 (0.49) SIGMAR1PDK1PDK2PDK3PDK4
SCHEMBL19212453 0.92 SIGMAR1 (0.49) SIGMAR1PDK1PDK2PDK3PDK4
SCHEMBL25339310 0.91 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL6071087 0.91 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL32671859 0.91 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL13963235 0.91 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL13963237 0.91 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL13963234 0.91 SMN1; SMN2 (0.48) SIGMAR1SMN1; SMN2NPC1RAB9APDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed
EP-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 SIGMAR1 1820/4885SMN1; SMN2 4381/4885NPC1 2616/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 SIGMAR1 4489/4885SMN1; SMN2 4054/4885NPC1 4744/4885

“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.