SCHEMBL6002469

SCHEMBL6002469

CC(C(=O)O)c1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 5/20 0.50
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
NR4A2 P43354 5/20 0.48
RXRA P19793 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MT-CO2 P00403 1/20 0.45
LMNA P02545 1/20 0.45
CA3 P07451 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2B P18089 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL5823861 1.00 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7504997 0.91 PTGS2 (0.63) PTGS2PTGS1CA1CA2CA12
SCHEMBL6000535 0.89 PTGS2 (0.63) PTGS2PTGS1NR4A2RXRALMNA
SCHEMBL8550926 0.88 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA12
SCHEMBL1534075 0.87 NR4A2 (0.59) PTGS2PTGS1NR4A2RXRALMNA
SCHEMBL8148150 0.86 CA2 (0.49) PTGS2PTGS1CA1CA2CA12
SCHEMBL8147641 0.85 PTGS2 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL6002048 0.85 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL6002489 0.85 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL9428091 0.84 NR4A2 (0.53) PTGS2PTGS1NR4A2RXRALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229347-A1 Treatment of eczemas ASTION DEVELOPMENT A/S 2006-10-12 US claimed
US-20060229347-A1 Treatment of eczemas ASTION DEVELOPMENT A/S 2006-10-12 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-20060229347-A1 Treatment of eczemas ZAP70, SYK, LCK PTGS2 792/4885PTGS1 745/4885CA1 3406/4885

“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.