SCHEMBL426746

SCHEMBL426746

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 5/20 0.46
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
XDH P47989 1/20 0.41
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
ATM Q13315 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
UCHL1 P09936 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL29536283 1.00 MAPT (0.50) MAPTKMT2ACA1CA2CA12
SCHEMBL16347536 0.89 RAB9A (0.45) MAPTKMT2ACA1CA2CA12
SCHEMBL5899519 0.89 MAPT (0.50) MAPTKMT2ACA1CA2CA12
SCHEMBL14637225 0.87 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL881294 0.87 LMNA (0.44) KMT2ACA1CA2CA12CA7
SCHEMBL25046973 0.87 CREBBP (0.42) MAPTKMT2ACA1CA2CA12
SCHEMBL3191197 0.87 HSD17B2 (0.57) MAPTKMT2ACA1CA2CA12
SCHEMBL18181649 0.86 MAPK1 (0.48) MAPTKMT2ACA1CA2CA12
SCHEMBL14636747 0.86 TSHR (0.39) MAPTKMT2ACA1CA2CA12
SCHEMBL22533468 0.85 NOTUM (0.45) MAPTKMT2ACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240150324-A1 5-Membered Heteroaryl Carboxamide Compounds for Treatment of HBV ASSEMBLY BIOSCIENCES, INC. 2024-05-09 US disclosed
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 EP disclosed
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 US disclosed
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID VERTEX PHARMA (US) 2024-01-04 US disclosed
CN-116897157-A Solid forms of 4- (5- (4-fluorophenyl) -6- (tetrahydro-2H-pyran-4-yl) -1, 5-dihydropyrrolo [2,3-F ] indazol-7-yl) benzoic acid 弗特克斯药品有限公司 2023-10-17 CN disclosed
EP-3154979-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. Pfizer Limited (GB) 2017-04-19 EP disclosed
WO-2017003995-A1 TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-01-05 WO disclosed
WO-2017003995-A1 TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-01-05 WO disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
WO-2015189744-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. PFIZER LIMITED (GB) 2015-12-17 WO disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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 (8 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-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 MAPT 89/4885KMT2A 4413/4885CA1 2768/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 MAPT 89/4885KMT2A 4413/4885CA1 2768/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 MAPT 89/4885KMT2A 4413/4885CA1 2768/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 MAPT 3989/4885KMT2A 4613/4885CA1 4577/4885
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID SERPINA2, SERPINE1, SERPINH1 MAPT 2488/4885KMT2A 3737/4885CA1 2491/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 MAPT 1388/4885KMT2A 2730/4885CA1 4863/4885
US-20240150324-A1 5-Membered Heteroaryl Carboxamide Compounds for Treatment of HBV HCCS, HAVCR2, MAVS MAPT 3215/4885KMT2A 2605/4885CA1 4369/4885
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS MAPT 3215/4885KMT2A 2605/4885CA1 4369/4885

“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.