SCHEMBL26533795

SCHEMBL26533795

CCC(C)C(=O)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
ALDH1A1 P00352 6/20 0.55
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
MCL1 Q07820 1/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 2/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL22850236 0.86 ALOX15 (0.53) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL11989035 0.84 ALOX15 (0.65) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL20662517 0.83 ALOX15 (0.63) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL5516339 0.81 ALDH1A1 (0.51) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL5516346 0.81 ALDH1A1 (0.51) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL21510124 0.81 ALOX15 (0.51) ALOX15TSHRCASP1
SCHEMBL17661734 0.81 ALOX15 (0.51) ALOX15TSHRCASP1
SCHEMBL23792634 0.79 RAB9A (0.57) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL27825826 0.79 ALOX15 (0.56) ALOX15TSHRCASP1ALDH1A1RAB9A
SCHEMBL7285854 0.79 ALOX15 (0.58) ALOX15TSHRCASP1ALDH1A1RAB9A

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-20230322668-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2023-10-12 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-20230322668-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACE, ACE2, TMPRSS15 ALOX15 1121/4885TSHR 4147/4885CASP1 83/4885

“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.