SCHEMBL5329433

SCHEMBL5329433

Cc1cc(C(=O)O)ccc1NS(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEU3 Q9UQ49 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
NR3C1 P04150 1/20 0.44
RAD52 P43351 1/20 0.44
MYC P01106 2/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN7 P35236 1/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1474880 0.86 SMN1; SMN2 (0.54) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28805203 0.86 L3MBTL1 (0.55) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29791318 0.86 NEU3 (0.56) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4176955 0.86 NEU3 (0.56) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29791247 0.86 NEU3 (0.63) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL567311 0.86 NEU3 (0.63) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL1473887 0.82 NPC1 (0.47) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL3528076 0.81 NEU3 (0.58) NEU3KDM4EHSD17B10SMN1; SMN2RAB9A
SCHEMBL5322418 0.81 NEU3 (0.58) NEU3L3MBTL1KDM4EHSD17B10SMN1; SMN2
SCHEMBL5326622 0.81 METAP2 (0.61) L3MBTL1KDM4EHSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218678-A1 USE OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES FOR TREATING CYSTIC FIBROSIS CHIESI FARMACEUTICI S.P.A. (IT) 2022-07-14 US disclosed
WO-2020017934-A1 COLORED CURABLE RESIN COMPOSITION, COLOR FILTER, AND DISPLAY APPARATUS 동우 화인켐 주식회사 2020-01-23 WO disclosed
US-9132121-B2 Dry powder formulation comprising a phosphodiesterase inhibitor CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-15 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-8648204-B2 1-phenyl-2-pyridinyl alkyl alcohol compounds as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2014-02-11 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
CN-101619065-B Isoquinoline compound or salt thereof, medicinal composition, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2012-07-25 CN disclosed
CN-101619065-A Isoquinoline compound or salt thereof, medicinal composition, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2010-01-06 CN disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
CN-1678594-A Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LTD (GB) 2005-10-05 CN disclosed
CN-1030409-A Indole derivatives and preparation method thereof GLAXO GROUP LTD (GB) 1989-01-18 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 (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-20220218678-A1 USE OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES FOR TREATING CYSTIC FIBROSIS CFTR, CLIC1, CLCN2 NEU3 4324/4885L3MBTL1 2408/4885KDM4E 3618/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B NEU3 1690/4885L3MBTL1 3351/4885KDM4E 1141/4885

“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.