SCHEMBL5452320

SCHEMBL5452320

COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)c(F)cc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.72
AKR1C2 P52895 9/20 0.72
PTGS2 P35354 4/20 0.66
PTGS1 P23219 3/20 0.66
HIF1A Q16665 3/20 0.65
LMNA P02545 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
ABCB1 P08183 2/20 0.64
AKR1C4 P17516 2/20 0.64
AKR1C1 Q04828 2/20 0.64
GLO1 Q04760 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
PTGES O14684 1/20 0.64
ABCC3 O15438 1/20 0.64

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
SCHEMBL5433909 0.93 AKR1C3 (0.68) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL3002102 0.93 AKR1C3 (0.72) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5452301 0.92 AKR1C3 (0.63) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5442420 0.92 AKR1C3 (0.63) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5448589 0.92 PTGS1 (0.66) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5444320 0.91 LMNA (0.67) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5440977 0.91 AKR1C3 (0.62) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL2005386 0.91 PTGS2 (0.81) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5796909 0.91 PTGS2 (0.81) AKR1C3AKR1C2PTGS2PTGS1HIF1A
SCHEMBL5444293 0.91 PTGS2 (0.65) AKR1C3AKR1C2PTGS2PTGS1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161698-A1 Modulators of CRTH2 Activity MICROBIA, INC. 2007-07-12 US disclosed
US-7205329-B2 Modulators of CRTH2 activity MICROBIA, INC. (US) 2007-04-17 US disclosed
US-20060135591-A1 Modulators of CRTH2 activity IRONWOOD PHARMACEUTICALS, INC. 2006-06-22 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 (2 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-20060135591-A1 Modulators of CRTH2 activity HRH2, HRH1, MRGPRX2 AKR1C3 3064/4885AKR1C2 2503/4885PTGS2 110/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 AKR1C3 3064/4885AKR1C2 2503/4885PTGS2 110/4885

“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.