SCHEMBL5494443

SCHEMBL5494443

COc1ccc2cc([C@H](C)C(=O)SC[C@@H](NC(C)=O)C(=O)OCCCCO[N+](=O)[O-])ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
PTGS1 P23219 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC22A6 Q4U2R8 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
SCHEMBL14190061 1.00 PTGS2 (0.43) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL5140597 1.00 PTGS2 (0.43) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL14598849 0.88 PTGS2 (0.46) PTGS2TSHRLMNAMAPTCYP2C9
Naproxen SCHEMBL7573450 0.84 AKR1C3 (0.50) PTGS2TSHRLMNAMAPTCYP2C9
Naproxen SCHEMBL7582595 0.84 AKR1C3 (0.50) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL13143535 0.84 PTGS2 (0.51) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL13143519 0.84 PTGS2 (0.51) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL13143482 0.84 PTGS2 (0.51) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL13143499 0.84 PTGS2 (0.51) PTGS2TSHRLMNAMAPTCYP2C9
SCHEMBL13143503 0.84 PTGS2 (0.51) PTGS2TSHRLMNAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US claimed
EP-1492543-A1 DRUGS FOR THE ARTHRITIS TREATMENT Nicox S.A. (FR) 2005-01-05 EP claimed
WO-2003084550-A1 DRUGS FOR THE ARTHRITIS TREATMENT NICOX S.A. (FR) 2003-10-16 WO claimed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 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-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 PTGS2 3/4885TSHR 2942/4885LMNA 3642/4885

“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.