SCHEMBL21296960

SCHEMBL21296960

CS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.63
HSD17B2 P37059 10/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
PTGS2 P35354 4/20 0.62
SCD O00767 1/20 0.60
ENPP2 Q13822 1/20 0.55
ADAMTS4 O75173 1/20 0.54
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL4674579 0.85 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9SCD
SCHEMBL8770634 0.82 PTGS2 (0.68) PTGS2CA12CA2CA9
SCHEMBL6168404 0.81 CA2 (0.75) HSD17B1HSD17B2CYP3A4CYP2C9PTGS2
SCHEMBL15771709 0.80 PTGS2 (0.50) PTGS2ENPP2CA12CA2CA9
SCHEMBL27621305 0.80 ESR1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9PTGS2
SCHEMBL29768635 0.80 ESR1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9PTGS2
SCHEMBL388018 0.80 ENPP2 (0.86) PTGS2SCDENPP2CA12CA2
SCHEMBL7898375 0.79 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL25490780 0.79 PTGS2 (0.53) PTGS2CA12CA2CA9
SCHEMBL2225090 0.79 FYN (0.77)

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-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 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 (2 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX HSD17B1 553/4885HSD17B2 821/4885CYP3A4 2004/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HSD17B1 553/4885HSD17B2 821/4885CYP3A4 2004/4885

“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.