SCHEMBL5645183

SCHEMBL5645183

CC(C)(CC(O)(C(=O)O)C(F)(F)F)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.43
CYP3A4 P08684 2/20 0.42
PGR P06401 2/20 0.42
NR3C1 P04150 4/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR3C2 P08235 3/20 0.40
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TBXA2R P21731 1/20 0.39
AADAC P22760 1/20 0.39

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
SCHEMBL5644117 0.85 FBP1 (0.43) ARCYP3A4PGRNR3C1NR3C2
SCHEMBL3654876 0.81 NR3C1 (0.53) ARPGRNR3C1NR3C2
SCHEMBL5644090 0.81 ATM (0.40) ARCYP3A4PGRATMTDP1
SCHEMBL5865883 0.79 FBP1 (0.40) ARCYP3A4PGRATMTDP1
SCHEMBL1775956 0.78 NR3C1 (0.67) PGRNR3C1NR3C2
SCHEMBL1775018 0.78 NR3C1 (0.67) PGRNR3C1NR3C2
SCHEMBL1775343 0.78 NR3C1 (0.67) PGRNR3C1NR3C2
SCHEMBL13767407 0.74 NR3C1 (0.48) PGRNR3C1NR3C2
SCHEMBL5642551 0.74 NR3C1 (0.77) ARPGRNR3C1NR3C2
SCHEMBL15074725 0.74 ATM (0.56) ARCYP3A4PGRATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166592-B2 Antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-01-23 US disclosed
US-7129270-B2 Nonsteroidal antiinflammatory agents Schėring AG (DE) 2006-10-31 US disclosed
US-20060040933-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN 2006-02-23 US disclosed
US-20040254249-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN (DE) 2004-12-16 US disclosed
US-6777409-B2 FOR THERAPY OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT PATENTS (DE) 2004-08-17 US disclosed
CN-1444570-A Non-steroidal anti-inflammatory drugs SCHERING AG (DE) 2003-09-24 CN disclosed
EP-1309571-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-14 EP disclosed
US-20020077356-A1 Nonsteroidal antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
WO-2002010143-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 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 (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-20020077356-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGES2, PTGES AR 2971/4885CYP3A4 441/4885PGR 1776/4885
US-20060040933-A1 Nonsteroidal antiinflammatory agents PTGES, PTGES2, PTGS1 AR 3082/4885CYP3A4 821/4885PGR 1229/4885
US-20040254249-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES2 AR 4037/4885CYP3A4 516/4885PGR 2398/4885

“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.