SCHEMBL5123403

SCHEMBL5123403

CC(C)(C)OC(=O)NCc1nc2cc(F)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.49
DYRK1A Q13627 3/20 0.48
TRPV1 Q8NER1 6/20 0.46
GRM2 Q14416 1/20 0.45
PTGER4 P35408 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
KDM4A O75164 1/20 0.41
BRD4 O60885 1/20 0.41
PDPK1 O15530 1/20 0.41
AKR1A1 P14550 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
SCHEMBL30466627 0.87 DYRK1A (0.49) AKR1B1DYRK1ATRPV1KDM4APDPK1
SCHEMBL21954259 0.87 DYRK1A (0.49) AKR1B1DYRK1ATRPV1KDM4APDPK1
SCHEMBL24962455 0.86 AKR1B1 (0.55) AKR1B1DYRK1ATRPV1AKR1A1
SCHEMBL20509355 0.86 DYRK1A (0.48) AKR1B1DYRK1ATRPV1HDAC6KDM4A
SCHEMBL24962449 0.86 HDAC6 (0.52) AKR1B1DYRK1ATRPV1HDAC6
SCHEMBL30466621 0.86 DYRK1A (0.48) AKR1B1DYRK1ATRPV1HDAC6KDM4A
SCHEMBL24962469 0.84 DYRK1A (0.47) AKR1B1DYRK1ATRPV1HDAC6KDM4A
SCHEMBL24963248 0.83 PPARA (0.49) DYRK1ATRPV1KDM4APDPK1
SCHEMBL30493007 0.83 DYRK1A (0.48) AKR1B1DYRK1ATRPV1GRM2KDM4A
SCHEMBL28366491 0.83 DYRK1A (0.48) AKR1B1DYRK1ATRPV1GRM2KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 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 (1 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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ AKR1B1 2685/4885DYRK1A 2708/4885TRPV1 50/4885

“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.