SCHEMBL6340833

SCHEMBL6340833

Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.76
ABCB11 O95342 1/20 0.76
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CXCL8 P10145 1/20 0.48
AKR1B1 P15121 1/20 0.48
PTGS1 P23219 1/20 0.48
GLO1 Q04760 1/20 0.48
ATM Q13315 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 2/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL6343780 0.89 PTGS2 (0.80) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
SCHEMBL7674493 0.87 PTGS2 (0.77) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
SCHEMBL11815561 0.86 PTGS2 (0.76) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
Zomepirac SCHEMBL25735 0.86 PTGS2 (1.00) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
Zomepirac SCHEMBL11495798 0.86 PTGS2 (1.00) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
SCHEMBL7674506 0.85 PTGS2 (0.70) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
Zomepirac SCHEMBL43061 0.85 PTGS2 (0.97) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
Zomepirac SCHEMBL9655800 0.85 PTGS2 (0.97) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
SCHEMBL7676885 0.84 PTGS2 (0.55) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1
Zomepirac SCHEMBL7204056 0.84 PTGS2 (0.95) PTGS2ABCB11LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
CN-1089086-C Luminandide medicine MILLS RANDELL L (US) 2002-08-14 CN disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
CN-1047075-A Luminandide medicine MILLS RANDELL L (US) 1990-11-21 CN disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 US 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD PTGS2 2698/4885ABCB11 99/4885LMNA 939/4885
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A PTGS2 887/4885ABCB11 2317/4885LMNA 2230/4885

“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.