SCHEMBL255969

SCHEMBL255969

O=S1(=O)CCOc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.35
SLC5A2 P31639 1/20 0.33

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
SCHEMBL255967 0.78 KEAP1 (0.48) KEAP1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL29398545 0.78 KEAP1 (0.48) KEAP1ITGB2ICAM1ITGALSMN1; SMN2
Hydrochloric Acid SCHEMBL29656759 0.77 KEAP1 (0.47) KEAP1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL31219839 0.73 MAPT (0.44) KEAP1SMN1; SMN2LMNAMTNR1AGAA
SCHEMBL2332273 0.73 MTNR1A (0.31) KEAP1MTNR1A
SCHEMBL255968 0.71 GPR3 (0.46) KEAP1SMN1; SMN2LMNAHTT
SCHEMBL5511998 0.71 KEAP1 (1.00) KEAP1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL29412497 0.71 KEAP1 (1.00) KEAP1ITGB2ICAM1ITGALSMN1; SMN2
Methane SCHEMBL14957696 0.69 KEAP1 (0.41) KEAP1ITGB2ICAM1ITGALABCG2
SCHEMBL31219876 0.69 CTSL (0.41) SMN1; SMN2LMNACRHBPCRHR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238170-A1 5,5-Difluoro- and 5-Fluoro-5-Methyl-C-Glycoside Derivatives Useful As Dual SGLT1 / SGLT2 Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-08-05 US claimed
WO-2024126453-A1 NEW SUBSTITUTED INDOLE-2-CARBOXAMIDES AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-20 WO disclosed
WO-2024089008-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed
WO-2024088991-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed
WO-2023073641-A9 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-02-29 WO disclosed
US-20230374021-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US disclosed
US-7091345-B2 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
EP-1560831-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO [4,5-D] PYRIMIDIN ONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US disclosed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004041823-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. 2004-05-06 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 (7 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-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 KEAP1 3153/4885ITGB2 2038/4885ICAM1 3509/4885
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives SRC, ABL1, LCK KEAP1 2905/4885ITGB2 1334/4885ICAM1 2075/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 KEAP1 1049/4885ITGB2 1012/4885ICAM1 2034/4885
US-20210238170-A1 5,5-Difluoro- and 5-Fluoro-5-Methyl-C-Glycoside Derivatives Useful As Dual SGLT1 / SGLT2 Modulators SLC5A2, SLC5A1, SLC2A4 KEAP1 1137/4885ITGB2 2246/4885ICAM1 1328/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 KEAP1 1724/4885ITGB2 821/4885ICAM1 507/4885
US-20230374021-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS ERBB2, ERBB3, ERBB4 KEAP1 2127/4885ITGB2 2096/4885ICAM1 3791/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 KEAP1 3967/4885ITGB2 1027/4885ICAM1 601/4885

“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.