SCHEMBL6424835

SCHEMBL6424835

CCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.40
PRKACA P17612 4/20 0.40
PRKACG P22612 4/20 0.40
PRKACB P22694 4/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
PTGS2 P35354 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PTGS1 P23219 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6428625 0.94 SRC (0.39) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL6423408 0.92 AKR1C3 (0.40) SRCALDH1A1AKR1C3AKR1C2PTGS2
SCHEMBL6425699 0.92 AKR1C3 (0.37) SRCMAPTHTTAKR1C3AKR1C2
SCHEMBL6425584 0.92 SRC (0.41) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL6423833 0.90 AKR1C3 (0.45) MAPTKDM4EAKR1C3AKR1C2PTGS2
SCHEMBL6424946 0.90 AKR1C3 (0.45) MAPTKDM4EAKR1C3AKR1C2PTGS2
SCHEMBL6427009 0.89 AKR1C3 (0.35) SRCAKR1C3AKR1C2PTGS2PPARG
SCHEMBL6426944 0.89 AKR1C3 (0.35) SRCAKR1C3AKR1C2PTGS2PPARG
SCHEMBL6426675 0.89 SRC (0.43) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL5558877 0.88 SRC (0.40) SRCPRKACAPRKACGPRKACBAKR1C3

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 SRC 3467/4885PRKACA 1966/4885PRKACG 1457/4885

“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.