SCHEMBL5379548

SCHEMBL5379548

Cc1cc(-c2ccc(S(C)(=O)=O)cn2)nc(NCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
PTGS1 P23219 1/20 0.54
GPR39 O43194 1/20 0.51
VCP P55072 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 4/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 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
SCHEMBL5378591 0.85 PTGS2 (0.74) PTGS2PTGS1GPR39SMN1; SMN2MAPT
SCHEMBL22827974 0.71 PTGS2 (0.71) PTGS2PTGS1VCP
SCHEMBL22828104 0.71 PTGS2 (0.75) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL24334967 0.71 PTGS2 (0.64) PTGS2PTGS1GPR39
SCHEMBL14488606 0.71 TP53 (0.60) PTGS2PTGS1SMN1; SMN2HTTMAPT
SCHEMBL5889066 0.70 PTGS2 (0.72) PTGS2PTGS1VCPSMN1; SMN2MAPT
SCHEMBL5785800 0.70 PTGS2 (1.00) PTGS2PTGS1SMN1; SMN2MAPTKDM4E
SCHEMBL6643434 0.69 ADRA2B (0.70) SMN1; SMN2LMNAKMT2AMEN1POLB
SCHEMBL13329877 0.68 LMNA (0.77) SMN1; SMN2HTTMAPTLMNAKDM4E
SCHEMBL13589551 0.68 RORC (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235560-B2 Pyrimidine derivative as selective COX-2 inhibitors GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
EP-1546128-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2006-05-03 EP disclosed
US-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors PTGES2, PTGS2, DPYD PTGS2 2/4885PTGS1 5/4885GPR39 1803/4885

“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.