SCHEMBL3971731

SCHEMBL3971731

CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.50
SLC9A1 P19634 2/20 0.48
SLC9A2 Q9UBY0 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CDC25B P30305 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
GRM1 Q13255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CNR2 P34972 1/20 0.41
TTR P02766 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 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
SCHEMBL31587739 1.00 ACE2 (0.50) ACE2SLC9A1SLC9A2KMT2ASMN1; SMN2
SCHEMBL15641748 0.85 ACE2 (0.51) ACE2SLC9A1SLC9A2KMT2ASMN1; SMN2
SCHEMBL3968070 0.85 SLC9A1 (0.64) ACE2SLC9A1SLC9A2KMT2ASMN1; SMN2
SCHEMBL2421238 0.83 PKM (0.58) ACE2SLC9A1SLC9A2KMT2ASMN1; SMN2
SCHEMBL7659788 0.80 ACE2 (0.47) ACE2SLC9A1SLC9A2KMT2ASMN1; SMN2
SCHEMBL30735778 0.77 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2CDC25BPKMTDP1
SCHEMBL940404 0.77 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2CDC25BPKMTDP1
SCHEMBL13816269 0.76 ACE2 (0.61) ACE2KMT2ASMN1; SMN2KDM4EGRM1
SCHEMBL7598306 0.75 TSHR (0.59) ACE2KMT2ASMN1; SMN2GRM1TDP1
SCHEMBL7922220 0.75 CDC25B (0.50) KMT2ASMN1; SMN2CDC25BKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN disclosed
EP-0921117-B2 Acylguanidines SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-07 EP disclosed
WO-2005079803-A1 COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASES PFIZER PRODUCTS, INC. (US) 2005-09-01 WO disclosed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
CN-1145360-A Substituted benzyloxy carbonyl guanidine, its prepn. method, and application of the same as medicament and medicament containing the same HOECHST AG (DE) 1997-03-19 CN disclosed
EP-0589336-B1 Benzoylguanidines, process for their preparation and their use as antiarrhythmic agents HOECHST AG (DE) 1997-01-08 EP disclosed
US-5591754-A Benzoylguanidines, pharmaceutical composition containing them and treatment of arrthythmias therewith HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed
EP-0640587-A1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
EP-0604852-A1 2,4-Substituted 5-(N-substituted-sulfamoyl) benzoylguanidines, as antiarrhythmic agents, inhibitors of the proliferation of cells and inhibitors of sodium-hydrogen exchange HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-06 EP disclosed
EP-0589336-A1 Benzoylguanidines, process for their preparation and their use as antiarrhythmic agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-30 EP disclosed
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 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 (4 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-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ACE2 2521/4885SLC9A1 18/4885SLC9A2 21/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A ACE2 1430/4885SLC9A1 1792/4885SLC9A2 1154/4885
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 ACE2 2091/4885SLC9A1 37/4885SLC9A2 112/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR ACE2 701/4885SLC9A1 19/4885SLC9A2 28/4885

“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.