SCHEMBL3843634

SCHEMBL3843634

CC(C)(C)OC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CXCR2 P25025 2/20 0.46
STS P08842 7/20 0.45
CXCR1 P25024 1/20 0.45
RAB9A P51151 1/20 0.43
ELANE P08246 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.41
F2 P00734 1/20 0.41
STAT3 P40763 2/20 0.40
HSD11B1 P28845 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
SCHEMBL1928327 0.83 STS (0.65) CA12CA1CA2CA9CA14
SCHEMBL23072877 0.83 CA1 (0.54) CA12CA1CA2CA9CA14
SCHEMBL28433059 0.81 CXCR2 (0.46) CA1CA2CXCR2STSCXCR1
SCHEMBL1713127 0.80 STS (0.62) CA12CA1CA2CA9CXCR2
SCHEMBL2188550 0.79 STS (0.59) CA12CA1CA2CA9CA14
SCHEMBL6132404 0.79 STS (0.59) CA12CA1CA2CA9CA14
SCHEMBL14720856 0.79 STS (0.68) CA12CA1CA2CA9CA14
SCHEMBL840762 0.79 KMT2A (0.50) CA12CA1CA2CA9CA14
SCHEMBL3668194 0.79 STS (0.60) CXCR2STSCXCR1ELANEHSD11B1
SCHEMBL109451 0.78 CA1 (0.61) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
US-7078420-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-18 US disclosed
US-6977267-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-20 US disclosed
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2005-01-06 US disclosed
US-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-23 US disclosed
EP-1432700-A4 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-22 EP disclosed
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-09 US disclosed
EP-1432700-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-01-15 US disclosed
WO-2003029245-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-10 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 (4 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-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL CA12 4019/4885CA1 1930/4885CA2 2814/4885
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL CA12 4019/4885CA1 1930/4885CA2 2814/4885
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL CA12 4024/4885CA1 1972/4885CA2 2829/4885
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, ITGA4 CA12 3408/4885CA1 1712/4885CA2 2478/4885

“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.