SCHEMBL255963

SCHEMBL255963

[O-][S+]1CCOc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
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
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.35
KEAP1 Q14145 1/20 0.31

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
SCHEMBL255955 0.78 ABCG2 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29997436 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8518 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11519392 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11406989 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11399163 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6791411 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27796077 0.66 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL19821086 0.64 MAOA (0.48) SMN1; SMN2LMNAGAA
Methane SCHEMBL28630381 0.63 ITGB2 (0.93) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126453-A1 NEW SUBSTITUTED INDOLE-2-CARBOXAMIDES AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-20 WO disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS 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-2024089008-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING 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-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 WO disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011117382-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
WO-2011073155-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
WO-2011073154-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 ITGB2 4297/4885ICAM1 1155/4885ITGAL 3199/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 ITGB2 1012/4885ICAM1 2034/4885ITGAL 1885/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ITGB2 821/4885ICAM1 507/4885ITGAL 623/4885
US-20230374021-A1 [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS ERBB2, ERBB3, ERBB4 ITGB2 2096/4885ICAM1 3791/4885ITGAL 3066/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 ITGB2 1027/4885ICAM1 601/4885ITGAL 946/4885

“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.