SCHEMBL3515967

SCHEMBL3515967

COC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KDM4E B2RXH2 7/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
EGFR P00533 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
HSD17B10 Q99714 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
UCHL1 P09936 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 2/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL29891154 1.00 GAA (0.40) GAAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL31537484 0.95 GAA (0.40) GAAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL31394282 0.89 KDM4E (0.35) GAAKDM4EHPGDALDH1A1EGFR
SCHEMBL24745852 0.88 ALDH1A1 (0.44) KDM4EHPGDALDH1A1EGFRHTT
SCHEMBL12470442 0.87 PKM (0.34) GAAKDM4EHPGDALDH1A1EGFR
SCHEMBL23240469 0.85 CA1 (0.40) GAAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL16113392 0.85 UCHL1 (0.33) GAAKDM4EHPGDALDH1A1EGFR
SCHEMBL24746071 0.84 EGFR (0.33) EGFRUCHL1CYP3A4
SCHEMBL25287007 0.84 EGFR (0.41) GAAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL22140531 0.84 KDM4E (0.47) GAAKDM4EHPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291235-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-12-20 EP disclosed
CN-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 CN disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
EP-4211121-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE Genzyme Corporation (US) 2023-07-19 EP disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
WO-2014026327-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
EP-2683693-A1 RORGAMMAT INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-01-15 EP disclosed
WO-2012106995-A1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-16 WO disclosed
WO-2012106995-A1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-16 WO disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO 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-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 GAA 9/4885KDM4E 3317/4885HPGD 255/4885
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GAA 905/4885KDM4E 3143/4885HPGD 413/4885
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A GAA 2032/4885KDM4E 2784/4885HPGD 1182/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA GAA 807/4885KDM4E 2919/4885HPGD 1928/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 GAA 133/4885KDM4E 4443/4885HPGD 167/4885

“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.