SCHEMBL5554404

SCHEMBL5554404

CCC(C)[C@H](C(=O)O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.39
PRKACA P17612 4/20 0.39
PRKACG P22612 4/20 0.39
PRKACB P22694 4/20 0.39
FPR2 P25090 1/20 0.35
PTGS2 P35354 4/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ABCB1 P08183 1/20 0.33
PTGS1 P23219 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6424380 1.00 SRC (0.39) SRCPRKACAPRKACGPRKACBFPR2
SCHEMBL5554407 1.00 SRC (0.39) SRCPRKACAPRKACGPRKACBFPR2
SCHEMBL6425581 1.00 SRC (0.39) SRCPRKACAPRKACGPRKACBFPR2
SCHEMBL6425582 1.00 SRC (0.39) SRCPRKACAPRKACGPRKACBFPR2
SCHEMBL6426918 0.92 AKR1C3 (0.40) SRCPTGS2AKR1C3AKR1C2ABCB1
SCHEMBL6427457 0.92 AKR1C3 (0.40) SRCPTGS2AKR1C3AKR1C2ABCB1
SCHEMBL5559668 0.92 AKR1C3 (0.40) SRCPTGS2AKR1C3AKR1C2ABCB1
SCHEMBL6423597 0.92 AKR1C3 (0.37) SRCPTGS2AKR1C3AKR1C2MAPT
SCHEMBL6424042 0.92 AKR1C3 (0.37) SRCPTGS2AKR1C3AKR1C2MAPT
SCHEMBL6423989 0.92 AKR1C3 (0.37) SRCPTGS2AKR1C3AKR1C2MAPT

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
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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 (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.