SCHEMBL4807069

SCHEMBL4807069

Cc1cc(Br)cc(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.50
CA9 Q16790 14/20 0.50
CA1 P00915 14/20 0.50
CA3 P07451 2/20 0.50
CA12 O43570 7/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CA4 P22748 2/20 0.41
CA14 Q9ULX7 2/20 0.41
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA13 Q8N1Q1 1/20 0.38

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
SCHEMBL2005577 0.84 CA2 (0.56) CA2CA9CA1CA3CA12
SCHEMBL11686763 0.84 CA2 (0.61) CA2CA9CA1CA3CA12
SCHEMBL30253215 0.80 PTGS2 (0.35) KDM4EALDH1A1
SCHEMBL2465936 0.80 PTGS2 (0.35) KDM4EALDH1A1
SCHEMBL2055457 0.78 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL12642786 0.76 GAA (0.41)
SCHEMBL12325098 0.76 ALDH1A1 (0.55) CA2CA9CA1CA3CA12
SCHEMBL13584666 0.75 SMN1; SMN2 (0.50) CA2CA9CA1CA3CA12
SCHEMBL2436618 0.75 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL12326399 0.75 L3MBTL1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323565-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2023-06-23 CN disclosed
US-7442837-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442719-B2 Methods using phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442836-B2 Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer GLAXO GROUP LIMITED (GB) 2007-01-04 US disclosed
US-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-7135600-B2 Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis GLAXO GROUP LIMITED (GB) 2006-11-14 US disclosed
CN-1266126-C Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2006-07-26 CN disclosed
US-20040180876-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2004-09-16 US disclosed
CN-1501911-A Phenethanolamine derivatives for treatment of respiratory diseases 2004-06-02 CN 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-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CA2 3533/4885CA9 4095/4885CA1 4866/4885
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CA2 3533/4885CA9 4095/4885CA1 4866/4885
US-20040180876-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 CA2 3533/4885CA9 4095/4885CA1 4866/4885
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer PTGS1, PTGES, PTGES2 CA2 1845/4885CA9 2316/4885CA1 3365/4885

“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.