SCHEMBL6025987

SCHEMBL6025987

O=C(O)C(Oc1ccccc1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C9 P11712 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
PYGL P06737 1/20 0.35
METAP2 P50579 2/20 0.35
EPHX1 P07099 1/20 0.35
METAP1 P53582 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10510382 0.88 GAA (0.41) CYP2C9GAACYP1A2PKMCYP2C19
SCHEMBL10110920 0.85 METAP2 (0.47) PKMMETAP2EPHX1METAP1MEN1
SCHEMBL8403428 0.85 METAP2 (0.47) PKMMETAP2EPHX1METAP1MEN1
SCHEMBL27688009 0.76 PPARG (0.36) CYP2C9GAACYP1A2PKMCYP2C19
SCHEMBL10600797 0.75 CYP1A2 (0.39) CYP2C9GAACYP1A2PKMCYP2C19
SCHEMBL23368087 0.73 LDHA (0.37) CYP2C9GAACYP1A2PKMCYP2C19
SCHEMBL21057158 0.73 LDHA (0.58) GAAPPARGPPARAMEN1ALDH1A1
SCHEMBL18331443 0.73 LDHA (0.58) GAAPPARGPPARAMEN1ALDH1A1
SCHEMBL10733059 0.73 LMNA (0.47) PPARGPPARAMEN1ALDH1A1LMNA
SCHEMBL15846953 0.73 SLC6A3 (0.51) MEN1LMNATP53KMT2A

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
US-6998415-B2 Pyrazolyl derivatives; antiinflammatory agents for inflammation; antiallergens for asthma PHARMACIA CORPORATION (US) 2006-02-14 US disclosed
US-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2004-07-29 US disclosed
US-6677364-B2 ANTI-INFLAMMATORY, ANTIPYRETIC, ANALGESIC COMPOSITIONS G.D. SEARLE & CO. 2004-01-13 US disclosed
EP-0828736-B1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2003-07-30 EP disclosed
EP-0995747-B1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors SEARLE & CO (US) 2002-08-07 EP disclosed
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2002-07-04 US disclosed
EP-0995747-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. (US) 2000-04-26 EP 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 (2 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-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 HSD17B10 442/4885ALOX15 3/4885CYP2C9 353/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 HSD17B10 402/4885ALOX15 5/4885CYP2C9 467/4885

“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.