SCHEMBL5178584

SCHEMBL5178584

CC(=O)OC(C)=O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.47

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
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
SNCA P37840 1/20 0.45
PKM P14618 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
Hydrochloric Acid SCHEMBL11845425 0.98 LMNA (0.46) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Acetic Acid Methyl Ester SCHEMBL28854245 0.88 MEN1 (0.51) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Acetone SCHEMBL4283217 0.87 GAA (0.54) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Sulfuric Acid SCHEMBL528133 0.87 GAA (0.59) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Sulfuric Acid SCHEMBL526314 0.87 GAA (0.59) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Acetone SCHEMBL2978474 0.85 GAA (0.52) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Acetic Acid SCHEMBL443433 0.85 SMN1; SMN2 (0.52) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Sulfuric Acid SCHEMBL5581686 0.85 GAA (0.56) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
Sulfuric Acid SCHEMBL15544394 0.85 GAA (0.56) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL34 0.85 GAA (0.62) LMNAALDH1A1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116173313-A Preparation method of medical surgical membrane material with self-antibacterial function 合肥科天水性科技有限责任公司 2023-05-30 CN claimed
CN-112322254-B Biomass aldehyde-free adhesive and preparation and application methods thereof 南宁科天水性科技有限责任公司 2022-04-08 CN claimed
CN-112322254-A Biomass aldehyde-free adhesive and preparation and application methods thereof 合肥科天水性科技有限责任公司 2021-02-05 CN claimed
CN-109646793-B Transurethral prostate expanding catheter and expanding method thereof 江苏长寿棒科技有限公司 2024-08-20 CN disclosed
CN-116337984-A Method for quantitatively detecting hydroxyl value of hydroxyl-terminated polybutadiene compound 青岛科技大学 2023-06-27 CN disclosed
CN-116173313-A Preparation method of medical surgical membrane material with self-antibacterial function 合肥科天水性科技有限责任公司 2023-05-30 CN disclosed
CN-112322254-B Biomass aldehyde-free adhesive and preparation and application methods thereof 南宁科天水性科技有限责任公司 2022-04-08 CN disclosed
CN-109925589-B Novel prostate expands and splits pipe 江苏长寿棒科技有限公司 2021-09-21 CN disclosed
CN-112322254-A Biomass aldehyde-free adhesive and preparation and application methods thereof 合肥科天水性科技有限责任公司 2021-02-05 CN disclosed
EP-1270071-B1 Ion-exchange membrane TOKUYAMA CORP (JP) 2007-06-13 EP disclosed
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
US-6830671-B2 A polyether compound having polyalkylene glycol chain is fixed on the surface of the membrane and/or inside of the membrane. TOKUYAMA CORPORATION (JP) 2004-12-14 US disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
US-20030024816-A1 Ion-exchange membrane TOKUYAMA CORPORATION (JP) 2003-02-06 US disclosed
EP-1270071-A1 Ion-exchange membrane TOKUYAMA CORPORATION (JP) 2003-01-02 EP disclosed
US-6268395-B1 FOR EXAMPLE ANTI-HIV AGENT; HAVING HIGHER ANTIVIRAL EFFECTS AND LESS DELETERIOUS SIDE EFFECTS AS COMPARED WITH CONVENTIONALLY KNOWN ANTIVIRAL AGENTS. LEAD CHEMICAL CO., LTD. (JP) 2001-07-31 US disclosed
US-4554289-A OF4949 TAKARA SHUZO CO., LTD. (JP) 1985-11-19 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 (1 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 LMNA 4189/4885ALDH1A1 35/4885MAPT 4085/4885

“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.