SCHEMBL5771407

SCHEMBL5771407

CCOC(=O)c1cnoc1-c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
THRB P10828 1/20 0.41
JMJD6 Q6NYC1 1/20 0.40
ALOX5 P09917 3/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL20028542 0.82 KDM4E (0.41) TSHRMAPTNPC1RAB9AJMJD6
SCHEMBL11384351 0.82 ALDH1A1 (0.48) TSHRMAPTNPC1RAB9AKDM4E
SCHEMBL5777151 0.79 USP2 (0.44) TSHRMAPTNPC1RAB9AJMJD6
SCHEMBL5773257 0.78 MAPT (0.51) TSHRMAPTNPC1RAB9AKDM4E
SCHEMBL19814592 0.78 THRB (0.50) TSHRMAPTNPC1RAB9ATHRB
SCHEMBL29775747 0.78 THRB (0.50) TSHRMAPTNPC1RAB9ATHRB
SCHEMBL10246766 0.76 TSHR (0.50) TSHRMAPTNPC1RAB9AKDM4E
SCHEMBL5770501 0.76 USP2 (0.40) TSHRMAPTNPC1RAB9AJMJD6
SCHEMBL5775535 0.76 CYP4F2 (0.42) NPC1RAB9AJMJD6ALOX5KDM4E
SCHEMBL5776433 0.76 SMN1; SMN2 (0.44) TSHRMAPTNPC1RAB9AALOX5

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 TSHR 534/4885MAPT 4701/4885NPC1 2417/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TSHR 583/4885MAPT 4763/4885NPC1 1770/4885

“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.