SCHEMBL2497448

SCHEMBL2497448

C[C@H](O)c1ccc(Cc2c(C(=O)O)cccc2C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
PTGS1 P23219 7/20 0.34
PTGS2 P35354 6/20 0.34
MT-CO1 P00395 1/20 0.34
MT-CO2 P00403 1/20 0.34
TSHR P16473 1/20 0.34
CNR2 P34972 3/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
FFAR1 O14842 1/20 0.33
CNR1 P21554 1/20 0.33
FAAH O00519 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL2498232 0.77 TSHR (0.35) NOTUMPTGS1PTGS2TSHRALDH1A1
SCHEMBL23111536 0.75 GABRA1 (0.49) ALDH1A1CYP1A2HPGDHSD17B10SLC6A2
SCHEMBL1514834 0.75 NOTUM (0.43) NOTUMALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2499036 0.74 PDE4A (0.40) TSHRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL3096090 0.71 PTGDR2 (0.40) NOTUMALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2498239 0.71 HNF4A (0.35) CNR2ALDH1A1HPGDFAAH
SCHEMBL5001048 0.70 NOTUM (0.40) NOTUMALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL5001042 0.70 NOTUM (0.40) NOTUMALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL4392864 0.69 PTGDR2 (0.44) NOTUMALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2497445 0.68 TSHR (0.47) TSHRALDH1A1

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-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 NOTUM 2673/4885PTGS1 2633/4885PTGS2 3131/4885

“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.