SCHEMBL6811268

SCHEMBL6811268

COC(=O)c1cc(-c2ccccc2)cc(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR4A2 P43354 2/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
KDM4E B2RXH2 4/20 0.45
GRM6 O15303 1/20 0.44
GRM5 P41594 1/20 0.44
AXL P30530 1/20 0.44
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL22732323 0.85 SLC6A4 (0.50) ALDH1A1HPGDMAPTGAACFTR
SCHEMBL23645723 0.84 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2426286 0.83 KDM4E (0.59) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL29141387 0.83 LMNA (0.47) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5034729 0.81 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL23645615 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL14084580 0.79 EGFR (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7671667 0.79 NR4A2 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL28726425 0.78 TSHR (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29858970 0.78 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144369-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-6762178-B2 FOR USE IN TREATMENT OF DISEASE CONDITIONS MEDIATED BY TNF-ALPHA, SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE, DEGENERATIVE CARTILAGE LOSS WYETH HOLDINGS CORPORATION 2004-07-13 US disclosed
CN-1376144-A Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-10-23 CN disclosed
US-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID COMPANY (US) 2001-12-27 US disclosed
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6277885-B1 INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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 (1 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-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors PTDSS1, SAT1, TNF ALDH1A1 992/4885HPGD 707/4885MAPT 3127/4885

“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.