SCHEMBL98442

SCHEMBL98442

C=CC(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
LMNA P02545 1/20 0.32
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL29205704 0.78 TET2 (0.30) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL22146032 0.77 TSHR (0.35) TSHRSLC6A2SLC6A4BLMSLC6A3
Imidazole SCHEMBL4949319 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6202143 0.74 LMNA (0.32) GRIK1LMNA
SCHEMBL27642881 0.74 ALDH1A1 (0.32) TSHRALDH1A1MAPTPTGS1SLC7A5
SCHEMBL11159731 0.72
SCHEMBL27963251 0.72 SLC6A2 (0.31) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL9926307 0.72 GRIN2D (0.31) ALDH1A1MAPTPTGS1
SCHEMBL27948182 0.72 LMNA (0.32) KMT2ALMNA
SCHEMBL9181195 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382264-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX AICHI STEEL CORPORATION (JP) 2025-12-18 US disclosed
EP-4501909-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX Aichi Steel Corporation (JP) 2025-02-05 EP disclosed
US-12139482-B2 Bicyclic pyridone lactams and methods of use thereof GENENTECH, INC. (US) 2024-11-12 US disclosed
EP-3526219-B1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-20210163475-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-03 US disclosed
US-10947226-B2 Bicyclic pyridone lactams and methods of use thereof GENENTECH, INC. (US) 2021-03-16 US disclosed
EP-3526219-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-08-21 EP disclosed
US-20190241565-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
WO-2018073193-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-04-26 WO disclosed
US-9566577-B1 Catalytic hydrogenation using complexes of base metals with tridentate ligands LOS ALAMOS NATIONAL SECURITY, LLC (US) 2017-02-14 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed
US-RE33778-E 1,3-dithietane-2-carboxylic acid penicillin and cephalosporin derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-12-24 US disclosed
US-4414153-A 1,3-Dithietane-2-carboxylic acid penicillin and cephalosporin derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1983-11-08 US disclosed
US-4198339-A INTERMEDIATES FOR PENICILLINS AND CEPHALOSPORINS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-15 US disclosed
US-3946054-A PERFUMES, TOBACCO, FOOD FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-03-23 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-20250382264-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX NR2C2, NR3C2, NPR1 TSHR 1311/4885SLC6A2 512/4885SLC6A4 2000/4885
US-20210163475-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF CYP3A5, C5, PDXK TSHR 3026/4885SLC6A2 4738/4885SLC6A4 4525/4885
US-10947226-B2 Bicyclic pyridone lactams and methods of use thereof CYP3A5, C5, PDXK TSHR 3026/4885SLC6A2 4738/4885SLC6A4 4525/4885
US-20190241565-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF CYP3A5, C5, PDXK TSHR 3026/4885SLC6A2 4738/4885SLC6A4 4525/4885
US-12139482-B2 Bicyclic pyridone lactams and methods of use thereof CYP3A5, C5, PDXK TSHR 3026/4885SLC6A2 4738/4885SLC6A4 4525/4885

“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.