SCHEMBL5771681

SCHEMBL5771681

COC(=O)CCc1cnoc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
THRB P10828 1/20 0.40
PIM1 P11309 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL5773931 0.86 CYP11B1 (0.44) CYP11B1CYP11B2MAPTCCNCCDK8
SCHEMBL5770267 0.86 CCNC (0.42) TRPV1SMN1; SMN2CCNCCDK8DHODH
SCHEMBL5774001 0.85 FFAR1 (0.49) HDAC1HDAC2FFAR1HDAC8MLYCD
SCHEMBL5773406 0.85 CCNC (0.44) SMN1; SMN2MAPTCCNCCDK8CYP2C9
SCHEMBL5773378 0.84 CYP11B1 (0.45) CYP11B1CYP11B2MAPTCCNCCDK8
SCHEMBL5772543 0.84 CCNC (0.48) CYP11B1CYP11B2MAPTCCNCCDK8
SCHEMBL5776975 0.84 KMT2A (0.49) CYP11B1CYP11B2MAPTCCNCCDK8
SCHEMBL5776590 0.84 PPARA (0.47) CYP11B1CYP11B2TP53SMN1; SMN2MAPT
SCHEMBL5773847 0.83 CCNC (0.47) CYP11B1CYP11B2SMN1; SMN2CCNCCDK8
SCHEMBL5773233 0.81 CCNC (0.41) CYP11B1CYP11B2SMN1; SMN2MAPTCCNC

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 TRPV1 2864/4885CYP11B1 10/4885CYP11B2 13/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TRPV1 3621/4885CYP11B1 9/4885CYP11B2 16/4885

“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.