SCHEMBL29793947

SCHEMBL29793947

CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)/C=C/c2ccccc2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
KIF11 P52732 1/20 0.54
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK10 P53779 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL29794036 1.00 GAA (0.55) GAAKIF11TSHRHSD17B10MAPK1
SCHEMBL29794064 0.91 GAA (0.54) GAAKIF11TSHRHSD17B10MAPK1
SCHEMBL29794050 0.91 GAA (0.54) GAAKIF11TSHRHSD17B10MAPK1
SCHEMBL26671646 0.90 TSHR (0.64) GAATSHRHSD17B10MAPK1SMN1; SMN2
SCHEMBL26820227 0.90 TSHR (0.64) GAATSHRHSD17B10MAPK1SMN1; SMN2
SCHEMBL29793794 0.90 GAA (0.67) GAAKIF11TSHRHSD17B10MAPK1
SCHEMBL29793883 0.90 DHFR (0.59) GAASMN1; SMN2ALDH1A1CA12CA1
SCHEMBL26671716 0.90 THRB (0.47) GAATSHRALDH1A1RAB9AMAPK10
SCHEMBL26671720 0.90 THRB (0.47) GAATSHRALDH1A1RAB9AMAPK10
SCHEMBL29794016 0.90 GAA (0.54) GAAKIF11TSHRHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235004-A1 PARA ACYL SUBSTITUTED DIAZACYCLOHEXENE DERIVATIVES Renovel Innovations, Inc. 2022-07-28 US claimed
US-20220235004-A1 PARA ACYL SUBSTITUTED DIAZACYCLOHEXENE DERIVATIVES Renovel Innovations, Inc. 2022-07-28 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-20220235004-A1 PARA ACYL SUBSTITUTED DIAZACYCLOHEXENE DERIVATIVES AADAC, TBXA2R, DPP8 GAA 1582/4885KIF11 2827/4885TSHR 3533/4885

“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.