SCHEMBL4797198

SCHEMBL4797198

Cc1ccc(S(=O)(=O)O)cc1.N#CCC(N)(O)C#N

nearest known ligand 0.43

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
GLA P06280 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRSS1 P07477 2/20 0.38
F2 P00734 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP2D6 P10635 3/20 0.38
MAPK1 P28482 2/20 0.38
CA12 O43570 2/20 0.37

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
SCHEMBL4247159 0.84 GLA (0.43) GLAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4246280 0.81 GLA (0.41) GLAALDH1A1MEN1KMT2ACYP1A2
Propionitrile SCHEMBL28654588 0.77 GLA (0.51) GLAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1437604 0.77 GLA (0.51) GLAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22089687 0.77 ALDH1A1 (0.46) GLAALDH1A1MEN1KMT2ACYP1A2
Hydroxyamine SCHEMBL599912 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9MAPTTDP1
SCHEMBL5480254 0.77 L3MBTL1 (0.44) GLAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28605621 0.76 ALDH1A1 (0.42) GLAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28422640 0.75 L3MBTL1 (0.48) GLAALDH1A1MEN1KMT2ACYP1A2
Tert-Butylamine SCHEMBL2724638 0.75 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473314-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2025-11-18 US disclosed
EP-4537828-A2 PHOSPHOLIPID COMPOUNDS AND USES THEREOF Gilead Sciences, Inc. (US) 2025-04-16 EP disclosed
EP-4200301-B1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-02-26 EP disclosed
US-20250025447-A1 TOLL-LIKE RECEPTOR AGONISTS AND ANTAGONISTS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2025-01-23 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-10 US disclosed
EP-4200301-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-28 EP disclosed
US-20220081455-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2022-03-17 US disclosed
WO-2022046631-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-03-03 WO disclosed
CN-111587249-A Indole compounds and uses thereof 阿里根公司 2020-08-25 CN disclosed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-6982268-B2 Substituted imidazolylmethyl pyridine and pyrazine derivatives GABAA receptor ligands NEUROGEN CORPORATION (US) 2006-01-03 US disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
EP-1501825-A2 SUBSTITUTED IMIDAZOLYLMETHYL PYRIDINE AND PYRAZINE DERIVATIVES: GABA A RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-02 EP disclosed
WO-2004041809-A2 SUBSTITUTED IMIDAZOLYLMETHYL PYRIDINE AND PYRAZINE DERIVATIVES AND THEIR USE AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2004-05-21 WO disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands NEUROGEN CORPORATION 2003-11-27 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 (9 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-20250025447-A1 TOLL-LIKE RECEPTOR AGONISTS AND ANTAGONISTS AND USES THEREOF TLR1, TLR2, TLR3 GLA 2985/4885ALDH1A1 2201/4885MEN1 4260/4885
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands GABRP, GABBR1, GABRA1 GLA 4315/4885ALDH1A1 512/4885MEN1 3739/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 GLA 750/4885ALDH1A1 3639/4885MEN1 578/4885
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 GLA 750/4885ALDH1A1 3639/4885MEN1 578/4885
US-20220081455-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 GLA 750/4885ALDH1A1 3639/4885MEN1 578/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 GLA 750/4885ALDH1A1 3639/4885MEN1 578/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR GLA 2582/4885ALDH1A1 2177/4885MEN1 1580/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 GLA 750/4885ALDH1A1 3639/4885MEN1 578/4885
US-12473314-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 GLA 750/4885ALDH1A1 3639/4885MEN1 578/4885

“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.