SCHEMBL4101427

SCHEMBL4101427

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
NR1I2 O75469 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
P2RX4 Q99571 1/20 0.34
KMT2A Q03164 1/20 0.33
ACKR3 P25106 1/20 0.33
PDK2 Q15119 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
BCL2L1 Q07817 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL2457889 0.81 TSHR (0.40) CES2NPSR1TSHRHPGDMCOLN3
SCHEMBL24223640 0.79 CES2 (0.39) CES2CES1NPSR1TSHRHPGD
SCHEMBL24223639 0.77 CES2 (0.42) CES2CES1NPSR1TSHRHPGD
SCHEMBL24223641 0.77 CES2 (0.42) CES2CES1NPSR1TSHRHPGD
SCHEMBL4098971 0.77 KDM4E (0.43) TSHRHPGDOPRM1
SCHEMBL23529632 0.77 CES2 (0.40) CES2CES1NPSR1TSHRHPGD
SCHEMBL19693500 0.77 HSP90AA1 (0.43) CES2CES1NPSR1TSHRHPGD
SCHEMBL29519396 0.77 HSP90AA1 (0.43) CES2CES1NPSR1TSHRHPGD
SCHEMBL31068965 0.77 CES2 (0.40) CES2CES1NPSR1TSHRHPGD
SCHEMBL1477106 0.76 P2RX4 (0.47) NPSR1TSHRHPGDMCOLN3P2RX4

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 CES2 4641/4885CES1 3519/4885NPSR1 4155/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CES2 4641/4885CES1 3519/4885NPSR1 4155/4885

“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.