SCHEMBL30392211

SCHEMBL30392211

COc1cc(C(C)C)ccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ PKM P14618 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41

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
SCHEMBL23598878 1.00 CA1 (0.50) CA1CA2PKMACHEALDH1A1
SCHEMBL31411917 0.86 ALDH1A1 (0.57) CA1CA2PKMACHEALDH1A1
SCHEMBL10642055 0.86 ALDH1A1 (0.57) CA1CA2PKMACHEALDH1A1
SCHEMBL13450384 0.84 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL30184710 0.83 TRPV4 (0.62) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL25045980 0.83 TRPV4 (0.62) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL16308958 0.83 ALDH1A1 (0.47) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL16259602 0.78 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL4629169 0.77 PDIA6 (0.49) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL1804739 0.77 PKM (0.55) CA1CA2PKMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426280-B1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2026-03-18 — — EP disclosed
US-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-05-08 — — US disclosed
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2025-02-20 — — US disclosed
EP-4426280-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Gurba, Alexandre (CH) 2024-09-11 — — EP disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 — — WO disclosed
EP-4197533-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Guerin, Patrick (CH) 2023-06-21 — — 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 (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-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SULT2A1, KAT8, TST CA1 711/4885CA2 1743/4885PKM 613/4885
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS P2RX2, P2RX3, P2RX1 CA1 4714/4885CA2 3285/4885PKM 2689/4885

“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.

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