SCHEMBL5074504

SCHEMBL5074504

CC1(C)COC(CCC(=O)c2ccc(F)cc2)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTR7 P34969 1/20 0.46
CTNNB1 P35222 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7210582 0.85 NPC1 (0.56) NPC1RAB9AHTR7CTNNB1KMT2A
SCHEMBL6285905 0.83 MAPT (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7210384 0.82 GSR (0.49) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3215720 0.82 RAB9A (0.53) NPC1RAB9AHTR7CTNNB1KMT2A
SCHEMBL7284408 0.72 NPC1 (0.54) NPC1RAB9ACTNNB1KMT2AMEN1
SCHEMBL5453020 0.72 NPC1 (0.60) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL21747253 0.70 NPC1 (0.55) NPC1RAB9ACTNNB1KMT2AMEN1
SCHEMBL26584242 0.70 NPC1 (0.82) NPC1RAB9AHTR7CTNNB1KMT2A
SCHEMBL3392114 0.69 KMT2A (0.51) KMT2AMEN1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL7287642 0.69 KMT2A (0.53) NPC1RAB9AKMT2AMEN1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288206-B1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors SEARLE LLC (US) 2008-09-17 EP disclosed
US-7420061-B2 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION (US) 2008-09-02 US disclosed
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION 2005-02-10 US disclosed
US-6815460-B2 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2004-11-09 US disclosed
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2003-04-10 US disclosed
EP-1288206-A1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors G.D. SEARLE & CO. (US) 2003-03-05 EP disclosed
US-6436967-B1 PREFERENTIAL CYCLOOXYGENASE INHIBITORS USED AS INJECTABLE ANALGESIC AND ANTIINFLAMMATORY AGENTS HAVING REDUCED SIDE EFFECTS; ACYLATION PHARMACIA CORPORATION 2002-08-20 US disclosed
US-5935990-A PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC G.D. SEARLE & CO. (US) 1999-08-10 US disclosed
US-5932598-A NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS G. D. SEARLE & CO. (US) 1999-08-03 US disclosed
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP disclosed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 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 (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-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PTGS2, PTGES2, PTGES NPC1 3989/4885RAB9A 4254/4885HTR7 1316/4885
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PTGS2, PTGES2, PTGES NPC1 3894/4885RAB9A 4116/4885HTR7 1316/4885

“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.