SCHEMBL768605

SCHEMBL768605

CCOC(=O)c1noc(-c2ccccc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
TARBP2 Q15633 1/20 0.45
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP2 O95551 2/20 0.43
GRM6 O15303 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL5621448 0.87 HTT (0.41) TARBP2ALDH1A1HPGDKDM4EGAA
SCHEMBL768777 0.86 PTGS1 (0.51) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL2565415 0.84 PTGS1 (0.52) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL16110874 0.82 PTGS1 (0.48) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL12000496 0.80 TARBP2 (0.52) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL353518 0.79 ALDH1A1 (0.52) TARBP2ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL31587044 0.78 ADORA3 (0.50) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL17079301 0.78 TARBP2 (0.50) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL768773 0.78 TARBP2 (0.50) PTGS1TARBP2ALDH1A1HPGDKDM4E
SCHEMBL1753377 0.78 CYP1A2 (0.51) TARBP2ALDH1A1HPGDKDM4EGAA

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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 PTGS1 464/4885TARBP2 3588/4885ALDH1A1 865/4885

“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.