SCHEMBL859745

SCHEMBL859745

CC(C)(C)OC(=O)N1CC[C@H](C(O)C(F)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.47
MMP13 P45452 9/20 0.46
STS P08842 1/20 0.44
MMP1 P03956 4/20 0.44
USP30 Q70CQ3 1/20 0.44
MMP3 P08254 3/20 0.43
MMP7 P09237 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP2 P08253 2/20 0.43
TGFBR1 P36897 1/20 0.43
SFRP1 Q8N474 2/20 0.43

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
SCHEMBL845706 1.00 GPR119 (0.47) GPR119MMP13STSMMP1USP30
SCHEMBL3753704 0.84 LMNA (0.38) MMP1
SCHEMBL13058318 0.82 LMNA (0.36) MMP13MMP1MMP3MMP9MMP8
SCHEMBL7921618 0.81 USP30 (0.49) GPR119STSUSP30TGFBR1SFRP1
SCHEMBL5453154 0.80 GPR119 (0.48) GPR119MMP13STSMMP1MMP3
SCHEMBL27851417 0.79 MEN1 (0.52) SFRP1
SCHEMBL23826830 0.77 MMP13 (0.48) GPR119MMP13STSMMP1MMP3
SCHEMBL23826866 0.77 MMP13 (0.48) GPR119MMP13STSMMP1MMP3
SCHEMBL23826828 0.77 MMP13 (0.48) GPR119MMP13STSMMP1MMP3
SCHEMBL23826870 0.77 MMP13 (0.48) GPR119MMP13STSMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 US disclosed
CN-102458581-A N- (hetero) aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo [2,3-d ] pyrimidines and pyrrol-3-yl-pyrrolo [2,3-d ] pyrimidines as JANUS kinase inhibitors INCYTE CORP 2012-05-16 CN disclosed
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 US 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 GPR119 3488/4885MMP13 4368/4885STS 3255/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 GPR119 3488/4885MMP13 4368/4885STS 3255/4885

“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.