SCHEMBL4098971

SCHEMBL4098971

CCN(CC)C(=O)c1ccc(F)cc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
OPRD1 P41143 4/20 0.40
OPRM1 P35372 3/20 0.40
ABCB11 O95342 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MLYCD O95822 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6068880 0.81 CES2 (0.55) KDM4EPOLBRAB9AHCRTR1HCRTR2
SCHEMBL12590922 0.81 ALDH1A1 (0.53) RAB9AHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL15577234 0.81 HCRTR1 (0.45) KDM4EPOLBRAB9AHCRTR1HCRTR2
SCHEMBL25141574 0.79 HPGD (0.47) KDM4EPOLBRAB9AHCRTR1HCRTR2
SCHEMBL14529998 0.78 HPGD (0.40) RAB9AHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL5371571 0.78 LPL (0.42) RAB9AHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4053377 0.78 TSHR (0.48) KDM4ERAB9AHCRTR1HCRTR2HSP90AA1
SCHEMBL7218207 0.78 CES2 (0.55) KDM4EPOLBRAB9AHCRTR1HCRTR2
SCHEMBL4101427 0.77 CES2 (0.38) OPRM1TSHRHPGD
SCHEMBL1034975 0.77 HPGD (0.49) KDM4EPOLBRAB9AHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 KDM4E 867/4885POLB 1938/4885RAB9A 2893/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 KDM4E 867/4885POLB 1938/4885RAB9A 2893/4885

“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.