SCHEMBL29997902

SCHEMBL29997902

C[C@H](N[S@+]([O-])C(C)(C)C)c1sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)nc(Cl)nc2c1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL23498451 0.93 ADORA2A (0.35) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL23498456 0.93 ADORA2A (0.35) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL29998011 0.89 MEN1 (0.35) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL25066141 0.89 MEN1 (0.35) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL23498630 0.82 MEN1 (0.37) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL23498626 0.82 MEN1 (0.37) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL29998100 0.82 TSHR (0.36) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL25066142 0.82 TSHR (0.36) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL29997926 0.81 ALDH1A1 (0.32) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL24391229 0.80 ALDH1A1 (0.33) ALDH1A1HPGDMEN1THRBKMT2A

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-20230057568-A1 COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA PTC THERAPEUTICS, INC. (US) 2023-02-23 US disclosed
EP-4072677-A1 COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA PTC Therapeutics, Inc. (US) 2022-10-19 EP 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-20230057568-A1 COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA SNRPB2, SYNCRIP, HNRNPUL2 ADORA2A 1365/4885ADORA1 2493/4885ALDH1A1 2146/4885

“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.