SCHEMBL2217516

SCHEMBL2217516

CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@](C)(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.40
NR1H2 P55055 2/20 0.38
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK1 P23458 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL18210065 1.00 RORC (0.40) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL21908773 0.86 EPHX2 (0.39) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL28708135 0.84 RORC (0.41) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL24695414 0.84 NR1H2 (0.41) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL27171881 0.84 NR1H2 (0.41) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL24087434 0.84 NR1H2 (0.41) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL13419535 0.80 USP2 (0.46) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL15812124 0.79 EPHX2 (0.42) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL23807876 0.79 EPHX2 (0.42) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL29049020 0.79 EPHX2 (0.42) RORCNR1H2EPHX2USP2SMN1; SMN2

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
EP-3288943-B1 PYRROLO[2,3-B]PYRAZINYL ACRYLAMIDES AND EPOXIDES THEREOF AS INHIBITORS OF JANUS KINASE PFIZER (US) 2022-09-28 EP disclosed
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof PFIZER INC. (US) 2020-07-07 US disclosed
US-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2019-01-03 US disclosed
EP-3288943-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF Pfizer Inc (US) 2018-03-07 EP disclosed
WO-2016178110-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2016-11-10 WO disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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 (5 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RORC 779/4885NR1H2 548/4885EPHX2 180/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RORC 619/4885NR1H2 338/4885EPHX2 432/4885
US-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF JAK2, JAK3, JAK1 RORC 2881/4885NR1H2 4812/4885EPHX2 235/4885
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof JAK2, JAK3, JAK1 RORC 2881/4885NR1H2 4812/4885EPHX2 235/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 RORC 3508/4885NR1H2 811/4885EPHX2 2169/4885

“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.