SCHEMBL3973566

SCHEMBL3973566

CSc1ccc(C(=O)COc2ccc(F)cc2F)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RECQL P46063 1/20 0.41
PTGER1 P34995 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL5107072 0.80 SLC6A4 (0.44) SLC6A4
SCHEMBL5097700 0.79 PTGDR2 (0.46) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2949180 0.73 PKM (0.70) PKMSMN1; SMN2
SCHEMBL2945856 0.72 ALDH1A1 (0.58) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9369460 0.71 LMNA (0.58) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11771510 0.71 PKM (0.58) PKMMAPTMEN1KMT2ARECQL
SCHEMBL3949993 0.71 PKM (0.50) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10746832 0.71 HAO1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7814039 0.71 CES2 (0.50) KMT2AHPGDALOX15HTTNPSR1
SCHEMBL7878279 0.71 MAPT (0.59) MAPTMEN1KMT2ASMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582676-B2 2-phenylpyran-4-one derivatives as selective COX-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2009-09-01 US disclosed
EP-1592680-B9 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2009-03-25 EP disclosed
EP-1592680-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2008-05-07 EP disclosed
US-7354936-B2 2-phenylpyran-4-one derivatives ALMIRALL AG (CH) 2008-04-08 US disclosed
US-20060142380-A1 2-Phenylpyran-4-one derivatives as selective cox-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-29 US disclosed
EP-1592680-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-09 EP disclosed
WO-2004072058-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-26 WO disclosed
EP-1263751-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-06-16 EP disclosed
US-20030232880-A1 2-Phenylpyran-4-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2003-12-18 US disclosed
US-6518303-B2 Selectively inhibit COX-2 in preference to COX-1 and are useful in the treatment of COX-2 mediated diseases, such as inflammation, pain, fever and asthma with fewer side effects ALMIRALL PRODESFARMA S.A. (ES) 2003-02-11 US disclosed
EP-1115716-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2003-01-02 EP disclosed
US-20020045644-A1 2-phenylpyran-4-one derivatives LABORATORIES ALMIRALL, S.A. (ES) 2002-04-18 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 (3 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-20060142380-A1 2-Phenylpyran-4-one derivatives as selective cox-2 inhibitors PTGS2, PTGES2, PTGS1 PKM 404/4885MAPT 3547/4885MEN1 4765/4885
US-20030232880-A1 2-Phenylpyran-4-one derivatives CYP3A4, UGT1A4, CYP4B1 PKM 214/4885MAPT 3070/4885MEN1 2375/4885
US-20020045644-A1 2-phenylpyran-4-one derivatives NR4A1, CYP3A4, HTR4 PKM 352/4885MAPT 3658/4885MEN1 4103/4885

“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.