SCHEMBL4291668

SCHEMBL4291668

CC1C(N(C)CS(=O)(=O)O)C(=O)N(c2ccccc2)N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.43
▸ LMNA P02545 3/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ LOX P28300 1/20 0.32
▸ LOXL3 P58215 1/20 0.32
▸ LOXL4 Q96JB6 1/20 0.32

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
SCHEMBL1425325 0.99 PTGS1 (0.42) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL1425324 0.87 MAPT (0.44) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL9616973 0.79 LOX (0.39) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL13415787 0.70 LMNA (0.45) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL14446344 0.69 LOX (0.43) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL9616703 0.67 LOX (0.41) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL30834844 0.65 POLB (0.35) PTGS1LMNAABCB11MAPTKDM4E
SCHEMBL19829483 0.64 LOX (0.39) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL2784650 0.64 LMNA (0.40) PTGS1LMNAABCB11MAPTALDH1A1
SCHEMBL8217266 0.61 LOX (0.36) PTGS1LMNAABCB11MAPTALDH1A1

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-20160361276-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2016-12-15 — — US disclosed
US-20160045459-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2016-02-18 — — US disclosed
US-20130190333-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2013-07-25 — — US disclosed
US-20090099138-A1 NSAIDs and tapentadol; synergistic pain relief GRUENENTHAL GMBH (DE) 2009-04-16 — — US disclosed
EP-2012763-A1 PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID Grünenthal GmbH (DE) 2009-01-14 — — EP disclosed
WO-2007128412-A1 PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID Grünenthal GmbH (DE) 2007-11-15 — — 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-20160361276-A1 Pharmaceutical Combination MC2R, PTGER2, PTGER1 PTGS1 4/4885LMNA 2623/4885ABCB11 464/4885
US-20160045459-A1 Pharmaceutical Combination MC2R, PTGER2, PTGER1 PTGS1 4/4885LMNA 2623/4885ABCB11 464/4885
US-20130190333-A1 Pharmaceutical Combination MC2R, PTGER2, PTGER1 PTGS1 4/4885LMNA 2623/4885ABCB11 464/4885
US-20090099138-A1 NSAIDs and tapentadol; synergistic pain relief PTGS1, OPRL1, PTGES3 PTGS1 1/4885LMNA 3462/4885ABCB11 652/4885

“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.

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