SCHEMBL23833740

SCHEMBL23833740

C=C(C)c1ncoc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 7/20 0.34
LMNA P02545 5/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL11329945 0.81 ADORA2A (0.40) ADORA2AKMT2AMAPTALDH1A1LMNA
SCHEMBL354015 0.75
Hydrochloric Acid SCHEMBL19119174 0.74 MAPT (0.47) KMT2AMAPTALDH1A1LMNAHSD17B10
SCHEMBL13908278 0.69
SCHEMBL439721 0.67
SCHEMBL8613762 0.67
SCHEMBL23425311 0.67
SCHEMBL21854498 0.67 L3MBTL1 (0.36) ADORA2AKMT2AMAPTALDH1A1LMNA
SCHEMBL18401044 0.67
SCHEMBL13085642 0.67 ALDH1A1 (0.34) ADORA2AKMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
EP-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 ADORA2A 2072/4885KMT2A 4864/4885MAPT 89/4885

“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.