SCHEMBL5772937

SCHEMBL5772937

Cc1onc(-c2ccc(C(F)(F)F)cc2)c1CO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
GABRA5 P31644 3/20 0.52
GPBAR1 Q8TDU6 1/20 0.47
TRPV1 Q8NER1 5/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MLYCD O95822 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PTPN1 P18031 2/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 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
SCHEMBL5775028 0.85 GABRA5 (0.52) MAPTGABRA5GPBAR1NPC1MEN1
SCHEMBL286403 0.83 GABRA5 (0.52) GABRA5GPBAR1KMT2ATHRB
SCHEMBL2925549 0.82 ALDH1A1 (0.48) MAPTGABRA5GPBAR1NPC1MEN1
SCHEMBL5775556 0.81 MAPT (0.56) MAPTGABRA5GPBAR1NPC1FFAR4
SCHEMBL1777617 0.81 GABRA5 (0.46) MAPTGABRA5KMT2AKDM4ENPSR1
SCHEMBL20258903 0.80 GABRA1 (0.48) GABRA5GPBAR1
SCHEMBL22230645 0.80 GABRA5 (0.49) GABRA5NPC1MEN1KMT2ANPSR1
SCHEMBL2928713 0.80 GABRA5 (0.52) GABRA5GPBAR1FFAR4
SCHEMBL107436 0.79 PTGS1 (0.58) MAPTGABRA5MEN1KMT2AKDM4E
SCHEMBL5904590 0.79 MEN1 (0.43) MAPTGABRA5GPBAR1TRPV1NPC1

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 MAPT 4701/4885GABRA5 707/4885GPBAR1 1073/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885GABRA5 991/4885GPBAR1 813/4885

“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.