SCHEMBL15934892

SCHEMBL15934892

O=CBN1CC[C@H](C(O)C(F)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
BRCA1 P38398 1/20 0.31
CTSK P43235 4/20 0.31
CTSL P07711 2/20 0.31
LMNA P02545 1/20 0.31
CTSB P07858 3/20 0.30
UCHL1 P09936 2/20 0.30
CTSS P25774 2/20 0.30
CTSC P53634 2/20 0.30

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
SCHEMBL3753704 0.78 LMNA (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13058318 0.76 LMNA (0.36) ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL859745 0.71 GPR119 (0.47) USP30
SCHEMBL845706 0.71 GPR119 (0.47) USP30
SCHEMBL845383 0.69 SLC6A2 (0.39)
SCHEMBL15934894 0.66
SCHEMBL859746 0.63 RIPK1 (0.35) KDM4EMEN1KMT2ANPC1
SCHEMBL8394593 0.58 HTR6 (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL18124782 0.57 MMP13 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL1357362 0.56 HTR6 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 CASP7 2124/4885ALDH1A1 2342/4885SMN1; SMN2 4142/4885

“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.