SCHEMBL24648908

SCHEMBL24648908

CCc1ccc(C[C@H](N)C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ACACB O00763 1/20 0.45
SLC7A5 Q01650 3/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
LTA4H P09960 1/20 0.43
LNPEP Q9UIQ6 2/20 0.42
ERAP2 Q6P179 1/20 0.42
PTPRB P23467 1/20 0.42
PLK1 P53350 1/20 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
SCHEMBL28741495 1.00 ALDH1A1 (0.51) ALDH1A1ESR1ESR2ACACBSLC7A5
Hydrochloric Acid SCHEMBL3498236 0.87 LTA4H (0.58) ALDH1A1L3MBTL1PPARGPPARALTA4H
Hydrochloric Acid SCHEMBL3498238 0.87 LTA4H (0.58) ALDH1A1L3MBTL1PPARGPPARALTA4H
SCHEMBL15019650 0.86 LOXL2 (0.59) ALDH1A1SLC7A5TDP1LNPEPERAP2
SCHEMBL15019652 0.86 LOXL2 (0.59) ALDH1A1SLC7A5TDP1LNPEPERAP2
SCHEMBL14139328 0.86 SLC7A5 (0.44) ALDH1A1ACACBSLC7A5TDP1L3MBTL1
SCHEMBL12028471 0.86 ALDH1A1 (0.51) ALDH1A1ESR1ESR2SLC7A5PTGS2
SCHEMBL16060244 0.86 ALDH1A1 (0.51) ALDH1A1ESR1ESR2ACACBSLC7A5
SCHEMBL5916451 0.86 ALDH1A1 (0.51) ALDH1A1ESR1ESR2SLC7A5PTGS2
SCHEMBL16542135 0.86 ALDH1A1 (0.51) ALDH1A1ESR1ESR2SLC7A5PTGS2

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-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2022-11-17 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-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF TGFBR2, SMAD2, ACVR2A ALDH1A1 1720/4885ESR1 3496/4885ESR2 745/4885

“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.