SCHEMBL6425814

SCHEMBL6425814

Cc1c(C(C)(C)C(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
AKR1C3 P42330 8/20 0.40
AKR1C2 P52895 8/20 0.40
RORC P51449 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6452550 0.90 PTGS1 (0.47) PTGS1PTGS2AKR1C3AKR1C2RORC
SCHEMBL6424014 0.89 PTGS1 (0.46) PTGS1PTGS2AKR1C3AKR1C2RORC
SCHEMBL6423928 0.87 PTGS1 (0.44) PTGS1PTGS2AKR1C3AKR1C2RORC
SCHEMBL6423167 0.87 PTGS1 (0.47) PTGS1PTGS2AKR1C3AKR1C2RORC
SCHEMBL6425968 0.87 MEN1 (0.36) PTGS1PTGS2AKR1C3AKR1C2RORC
SCHEMBL6425774 0.86 PTGS1 (0.46) PTGS1PTGS2AKR1C3AKR1C2RORC
SCHEMBL6423740 0.86 PTGS1 (0.64) PTGS1PTGS2AKR1C3AKR1C2MEN1
SCHEMBL6428254 0.86 AKR1C3 (0.47) PTGS1PTGS2AKR1C3AKR1C2GAA
SCHEMBL6425393 0.85 PTGS2 (0.45) PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL6423502 0.84 PTGS1 (0.50) PTGS1PTGS2AKR1C3AKR1C2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS1 7/4885PTGS2 4/4885AKR1C3 577/4885

“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.