SCHEMBL1448872

SCHEMBL1448872

COc1ccc2cc([C@H](C)C(=O)OCCCCBr)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.62
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PTGS1 P23219 2/20 0.58
AKR1C3 P42330 2/20 0.58
AKR1C2 P52895 2/20 0.58
TSHR P16473 2/20 0.58
CDC42 P60953 1/20 0.58
RAC1 P63000 1/20 0.58
CYP1A2 P05177 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL6550199 0.99 PTGS2 (0.61) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL7101761 0.96 PTGS2 (0.63) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL13592731 0.93 TDP1 (0.69) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL554679 0.92 TDP1 (0.55) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL17858883 0.91 PTGS2 (0.66) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL10649402 0.91 PTGS2 (0.66) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL12744212 0.90 PTGS2 (0.65) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL16193388 0.90 PTGS2 (0.65) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL1395993 0.88 PTGS2 (0.63) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL13089018 0.88 PTGS2 (0.63) PTGS2TDP1L3MBTL1PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054020-A1 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-03-03 US disclosed
US-20110054020-A1 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-03-03 US disclosed
US-20110054020-A1 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-03-03 US disclosed
WO-2010129505-A2 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2009149053-A2 NAPROXCINOD PROCESS AND SOLID DISPERSION DR. REDDY'S LABORATORIES LTD. (IN) 2009-12-10 WO disclosed
EP-0289262-A2 Omega-quaternary ammonium alkyl esters and thioesters of acidic nonsteroidal antiinflammatory drugs SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1988-11-02 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 (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-20110054020-A1 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE PTGES, PTGES2, PTGES3 PTGS2 6/4885TDP1 1412/4885L3MBTL1 4782/4885

“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.