SCHEMBL6972308

SCHEMBL6972308

Cc1cc(=O)c(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 1.00
PTGS1 P23219 3/20 0.55
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MT-CO2 P00403 1/20 0.50
LMNA P02545 1/20 0.50
CA3 P07451 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
ADORA1 P30542 1/20 0.50

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
SCHEMBL6975956 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6977125 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6969701 0.83 PTGS2 (0.80) PTGS2PTGS1CA12CA1CA2
SCHEMBL6975634 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6969867 0.76 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5708933 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1377265 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5708993 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6972159 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6976478 0.75 PTGS2 (0.72) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1115716-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2001-07-18 EP disclosed
WO-2000018753-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2000-04-06 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 (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-20020045644-A1 2-phenylpyran-4-one derivatives NR4A1, CYP3A4, HTR4 PTGS2 912/4885PTGS1 451/4885CA12 4747/4885

“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.