SCHEMBL9199472

SCHEMBL9199472

Cc1ccc(S(=O)(=O)O)cc1.O=C(O)CNc1ccc(O)cc1

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 3/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4455333 0.88 CA12 (0.49) CA1CA2CA12CA9LMNA
SCHEMBL9194298 0.87 TSHR (0.50) CA1CA2CA12CA9LMNA
SCHEMBL15067141 0.86 CA1 (0.49) CA1CA2CA12CA9LMNA
SCHEMBL9193140 0.86 ALDH1A1 (0.51) CA1CA2CA12CA9LMNA
Sulfuric Acid SCHEMBL9325271 0.83 HIF1A (0.52) CA1CA2CA12CA9MAPT
SCHEMBL10714863 0.83 CA1 (0.45) CA1CA2CA12CA9LMNA
SCHEMBL3654908 0.81 LMNA (0.54) CA1CA2CA12CA9LMNA
SCHEMBL11224866 0.81 ALDH1A1 (0.46) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL1578385 0.81 CYP1A1 (0.50) CA1CA2CA12CA9MAPT
SCHEMBL498570 0.81 ALDH1A1 (0.54) CA1CA2CA12CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110871141-B Chiral resolution method for simulating magnetic ore dressing and special magnetic enrichment type nano inhibitor thereof 北京大学 2021-01-29 CN claimed
CN-110871141-A Chiral resolution method for simulating magnetic ore dressing and special magnetic enrichment type nano inhibitor thereof 北京大学 2020-03-10 CN claimed
US-4533506-A Resolution of amino acids YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1985-08-06 US claimed
EP-0070114-B1 A PROCESS FOR PREPARING AN OPTICALLY ACTIVE P-HYDROXYPHENYL-GLYCINE OR A SALT THEREOF Tanabe Seiyaku Co., Ltd. (JP) 1985-06-26 EP claimed
US-4434107-A Process for preparing an optically active p-hydroxyphenylglycine or a salt thereof TANABE SEIYAKU CO., LTD. (JP) 1984-02-28 US claimed
EP-0070114-A1 A process for preparing an optically active p-hydroxyphenyl-glycine or a salt thereof Tanabe Seiyaku Co., Ltd. (JP) 1983-01-19 EP claimed
US-3994962-A INTERMEDIATE FOR PENICILLIN AND CEPHALOSPORIN DERIVATIVES NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1976-11-30 US claimed
JP-52093741-A None JP disclosed
US-12104022-B2 Chiral resolution method mimicking magnetic beneficiation and the magnetic nano-inhibitors for selective enrichment PEKING UNIVERSITY (CN) 2024-10-01 US disclosed
US-20210163695-A1 A CHIRAL RESOLUTION METHOD MIMICKING MAGNETIC BENEFICIATION AND THE MAGNETIC NANO-INHIBITORS FOR SELECTIVE ENRICHMENT PEKING UNIVERSITY (CN) 2021-06-03 US disclosed
CN-110871141-B Chiral resolution method for simulating magnetic ore dressing and special magnetic enrichment type nano inhibitor thereof 北京大学 2021-01-29 CN disclosed
CN-110871141-A Chiral resolution method for simulating magnetic ore dressing and special magnetic enrichment type nano inhibitor thereof 北京大学 2020-03-10 CN disclosed
EP-0437058-B1 Formation of hydroxyaromatic ketoacetal from an hydroxyaromatic methylketone and production of 5-(4'-hydroxyphenyl)hydantoin and D-p-hydroxyphenylglycine from 4-hydroxyacetophenone HOECHST CELANESE CORP (US) 1995-12-27 EP disclosed
US-4434107-A Process for preparing an optically active p-hydroxyphenylglycine or a salt thereof TANABE SEIYAKU CO., LTD. (JP) 1984-02-28 US disclosed
US-4390722-A CRYSTALLIZATION FROM SUPERSATURATED SOLUTION USING AMINO ACID AS AS CRYSTAL INHIBITOR YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1983-06-28 US disclosed
US-4390722-A CRYSTALLIZATION FROM SUPERSATURATED SOLUTION USING AMINO ACID AS AS CRYSTAL INHIBITOR YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1983-06-28 US disclosed
EP-0070114-A1 A process for preparing an optically active p-hydroxyphenyl-glycine or a salt thereof Tanabe Seiyaku Co., Ltd. (JP) 1983-01-19 EP disclosed
US-4309362-A SEEDING SUPERSATURATED SOLUTION WITH CRYSTAL OF ENANTIOMORPH TANABE SEIYAKU CO., LTD. (JP) 1982-01-05 US disclosed
JP-S5293741-A P-HYDROXYPHENYLGLYCINE-SULFONIC ACID DERIVATIVE SALTS NIPPON KAYAKU CO LTD 1977-08-06 JP disclosed
US-3994962-A INTERMEDIATE FOR PENICILLIN AND CEPHALOSPORIN DERIVATIVES NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1976-11-30 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-20210163695-A1 A CHIRAL RESOLUTION METHOD MIMICKING MAGNETIC BENEFICIATION AND THE MAGNETIC NANO-INHIBITORS FOR SELECTIVE ENRICHMENT NES, MSN, NAF1 CA1 40/4885CA2 323/4885CA12 120/4885
US-12104022-B2 Chiral resolution method mimicking magnetic beneficiation and the magnetic nano-inhibitors for selective enrichment NES, ALB, NAF1 CA1 34/4885CA2 323/4885CA12 122/4885

“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.