SCHEMBL329993

SCHEMBL329993

[O]S(=O)(=O)c1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.53
PLAU P00749 2/20 0.48
F12 P00748 1/20 0.48
NCF1 P14598 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 3/20 0.42
PLG P00747 1/20 0.41
LMNA P02545 2/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
FDPS P14324 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL29277533 0.86 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
SCHEMBL10401348 0.84 CYP2A6 (0.59) CYP2A6PLAUF12NCF1NOS3
SCHEMBL169719 0.82 PLAU (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL1052021 0.82 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL29797287 0.82 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL329994 0.82 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL5610261 0.82 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL29482553 0.82 PLAU (0.52) CYP2A6PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL7319620 0.81 CYP2A6 (0.50) CYP2A6PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL9352434 0.81 CYP2A6 (0.50) CYP2A6PLAUF12NCF1NOS3

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US claimed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US claimed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
CN-117835980-A Tetrahydropyrazolopyridine analog ligand of NLRX1 and application thereof 朗多生物制药股份有限公司 2024-04-05 CN disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-4225315-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING INFLAMMATORY OR IMMUNE-MEDIATED CONDITIONS OF SURFACE TISSUES Nimmune Biopharma, Inc. (US) 2023-08-16 EP disclosed
EP-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
CN-113748109-B Lanthionine C-like protein 2 ligands, cells prepared with said ligands and therapies using said ligands 朗多生物制药股份有限公司 2023-07-21 CN disclosed
CN-116368133-A NLRX1 ligand 朗多生物制药股份有限公司 2023-06-30 CN disclosed
US-20230192652-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-22 US disclosed
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity SHIONOGI & CO., LTD. (JP) 2009-01-29 US disclosed
CN-101273013-A Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO (JP) 2008-09-24 CN disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 EP disclosed
EP-1916245-A1 INDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 EP disclosed
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US 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-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 CYP2A6 4785/4885PLAU 1207/4885F12 4880/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 CYP2A6 700/4885PLAU 3941/4885F12 870/4885

“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.