SCHEMBL12198112

SCHEMBL12198112

C[C@H](F)CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
APLNR P35414 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
EPHX1 P07099 1/20 0.41
SYK P43405 1/20 0.40
SERPINE1 P05121 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP2D6 P10635 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29385609 1.00 MEN1 (0.47) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL30464931 1.00 MEN1 (0.47) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL10035060 0.86 MEN1 (0.49) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL20355676 0.85 MEN1 (0.45) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL1105702 0.83 PCSK9 (0.50) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL6563149 0.83 MEN1 (0.50) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL27686321 0.82 MEN1 (0.46) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL26103224 0.82 MEN1 (0.46) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL29027228 0.82 APLNR (0.45) MEN1GAAKMT2AAPLNRTDP1
SCHEMBL25760303 0.82 APLNR (0.45) MEN1GAAKMT2AAPLNRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
EP-4192462-A1 PYRAZOLOPYRIDINE COMPOUNDS AND METHODS OF INHIBITING IRE1 USING SAME Optikira LLC (US) 2023-06-14 EP disclosed
WO-2022032078-A1 PYRAZOLOPYRIDINE COMPOUNDS AND METHODS OF INHIBITING IRE1 USING SAME Optikira, LLC (US) 2022-02-10 WO disclosed
EP-2155762-B1 PROCESS FOR THE SYNTHESIS OF ALKYL PHOSPHINIC ACIDS BY INITIATION OF AN AMINE AND AN AMINEOXIDE ASTRAZENECA AB (SE) 2011-10-12 EP disclosed
US-8026384-B2 Process for the synthesis of alkyl phosphinic acids by initiation of an amine and an amineoxide ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-8026384-B2 Process for the synthesis of alkyl phosphinic acids by initiation of an amine and an amineoxide ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20100130773-A1 PROCESS FOR THE SYNTHESIS OF ALKYL PHOSPHINIC ACIDS BY INITIATION OF AN AMINE AND AN AMINEOXIDE ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130773-A1 PROCESS FOR THE SYNTHESIS OF ALKYL PHOSPHINIC ACIDS BY INITIATION OF AN AMINE AND AN AMINEOXIDE ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2008136746-A1 PROCESS FOR THE SYNTHESIS OF ALKYL PHOSPHINIC ACIDS BY INITIATION OF AN AMINE AND AN AMINEOXIDE ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136745-A1 PROCESS FOR THE SYNTHESIS OF ALKYL PHOSPHINIC ACIDS BY INITIATION OF AN AMINE AND AN AMINEOXIDE ASTRAZENECA AB (SE) 2008-11-13 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-20100130773-A1 PROCESS FOR THE SYNTHESIS OF ALKYL PHOSPHINIC ACIDS BY INITIATION OF AN AMINE AND AN AMINEOXIDE PPIP5K2, AGPS, PHPT1 MEN1 291/4885GAA 1910/4885KMT2A 768/4885
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 MEN1 3460/4885GAA 1664/4885KMT2A 3798/4885

“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.