SCHEMBL29997935

SCHEMBL29997935

CC(C)(C)OC(=O)N(Cc1ccco1)c1nc(Cl)nc2c(Br)c(/C=N/[S@+]([O-])C(C)(C)C)sc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL23498663 0.92 ADORA2A (0.34) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL23498668 0.92 ADORA2A (0.34) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL23498660 0.92 ADORA2A (0.34) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL29998327 0.87 ADORA2A (0.35) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL29997523 0.81 ALDH1A1 (0.31) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL25066331 0.81 ALDH1A1 (0.31) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL29997902 0.80 ADORA2A (0.32) ADORA2AADORA1ALDH1A1HPGDMEN1
SCHEMBL24391361 0.80 ALDH1A1 (0.32) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL29564422 0.80 ALDH1A1 (0.32) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL23498665 0.78 HSD17B10 (0.36) ALDH1A1HPGDMEN1KMT2AKDM4E

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.