SCHEMBL5771188

SCHEMBL5771188

CCC(CC)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2F)cc1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.43
CNR1 P21554 7/20 0.39
RORC P51449 7/20 0.37
RORA P35398 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 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
SCHEMBL5771355 0.88 MAPT (0.39) CNR2CNR1
SCHEMBL5773239 0.85 MAPT (0.37) CNR2CNR1RORCRORANR1H4
SCHEMBL5774525 0.83 MAPT (0.36) CNR2CNR1RORCRORANR1H4
SCHEMBL5773308 0.83 MEN1 (0.39) CNR2CNR1RORCRORANR1H4
SCHEMBL5772698 0.83 TSHR (0.39) CNR2CNR1
SCHEMBL5775864 0.82 SMN1; SMN2 (0.47) CNR2
SCHEMBL5771724 0.82 MAPT (0.41) CNR2HDAC3HDAC1HDAC2
SCHEMBL5771812 0.81 MAPT (0.38) CNR2CNR1
SCHEMBL5777446 0.80 MEN1 (0.41) HDAC1HDAC2
SCHEMBL5777020 0.80 MAPT (0.42) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CNR2 987/4885CNR1 927/4885RORC 620/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CNR2 848/4885CNR1 502/4885RORC 1186/4885

“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.