SCHEMBL7562017

SCHEMBL7562017

CC(=O)Cc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PTGS2 P35354 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
FABP2 P12104 1/20 0.51
TSHR P16473 1/20 0.51
AKR1C4 P17516 1/20 0.51
ADRA2B P18089 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51

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
Desmethylflurbiprofen SCHEMBL538938 0.87 PTGS1 (0.56) PTGS1MEN1KMT2APTGS2LMNA
Desmethylflurbiprofen SCHEMBL239447 0.85 PTGS1 (0.55) PTGS1MEN1KMT2APTGS2LMNA
SCHEMBL11802059 0.84 ALDH1A1 (0.54) PTGS1MEN1KMT2APTGS2LMNA
Hydrogen Sulfide SCHEMBL27792273 0.83 PSEN1 (0.49) PTGS1MEN1KMT2ALMNATSHR
SCHEMBL4205169 0.83 HPGD (0.52) PTGS1MEN1KMT2APTGS2LMNA
SCHEMBL20458935 0.83 MTNR1A (0.51) PTGS1MEN1KMT2APTGS2LMNA
Methane SCHEMBL9085715 0.82 HPGD (0.51) PTGS1MEN1KMT2APTGS2LMNA
SCHEMBL9342620 0.81 CDK2 (0.46) PTGS1MEN1KMT2APTGS2LMNA
SCHEMBL6115491 0.81 SMN1; SMN2 (0.54) PTGS1MEN1KMT2APTGS2LMNA
SCHEMBL11812364 0.81 RARB (0.51) PTGS1MEN1KMT2APTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160038448-A1 THE INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURBIPROFEN AND FLURBIPROFEN DERIVATIVES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-02-11 US disclosed
EP-0882703-B1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-08-14 EP disclosed
US-6011174-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENT ANTITUMOR ACTIVITIES, BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0882703-A1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed
EP-0611749-B1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMA CO LTD (JP) 1997-10-22 EP disclosed
US-5616803-A EXHIBIT SQUALENE SYNTHASE-INHIBITORY ACTIVITIES; USEFUL IN TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA, HYPERLIPEMIA AND ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-04-01 US disclosed
US-5606101-A INTERMEDIATES FOR SQUALENE SYNTHASE INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-02-25 US disclosed
US-5488149-A SQUALENE SYNTHASE INHIBITORS AS ANTICHOLESTEROL OR ANTILIPEMIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-30 US disclosed
EP-0611749-A1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-24 EP disclosed
US-4546106-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1985-10-08 US disclosed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 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 (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-20160038448-A1 THE INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURBIPROFEN AND FLURBIPROFEN DERIVATIVES IAPP, AMY2A, APP PTGS1 1077/4885MEN1 1447/4885KMT2A 3686/4885

“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.