SCHEMBL4151017

SCHEMBL4151017

CCOC(=O)[C@@](C)(O)c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
PIN1 Q13526 1/20 0.39
FBP1 P09467 1/20 0.38
TSHR P16473 4/20 0.38
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
PPARA Q07869 1/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL4151018 1.00 CNR2 (0.40) CNR2PIN1FBP1TSHRABCB11
SCHEMBL4362447 0.81 CYP3A4 (0.36) TSHRCYP3A4POLBNPSR1MAPT
SCHEMBL5967286 0.81 MAPT (0.40) CNR2PIN1TSHRPOLBNPSR1
SCHEMBL11844527 0.79 MAPT (0.43) TSHRCYP1A2NPSR1MAPTKDM4E
SCHEMBL841159 0.76 NPSR1 (0.49) PIN1TSHRPOLBNPSR1MAPT
SCHEMBL5807773 0.75 PIN1 (0.57) PIN1TSHRPOLBNPSR1
SCHEMBL9290105 0.75 CNR2 (0.45) CNR2PIN1TSHRABCB11CYP1A2
SCHEMBL13574069 0.75 PIN1 (0.57) PIN1TSHRPOLBNPSR1
SCHEMBL8893037 0.74 ESR1 (0.50) CNR2PIN1TSHRABCB11CYP1A2
SCHEMBL22938122 0.74 CES2 (0.39) MAPTMAPK1HTT

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-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
WO-2009108722-A2 SUBSTITUTED BENZOXAZINONES P & H THERAPEUTICS, INC. (US) 2009-09-03 WO disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 US disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 US disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 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-20090215763-A1 SUBSTITUTED BENZOXAZINONES REN, ACE, AGTR1 CNR2 2703/4885PIN1 3116/4885FBP1 633/4885
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES REN, ACE, AGTR1 CNR2 2464/4885PIN1 2146/4885FBP1 1123/4885

“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.