SCHEMBL2498231

SCHEMBL2498231

C[C@H](O)c1ccc(Cc2ccccc2C(=O)O)cc1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTGER4 P35408 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
HNF4A P41235 1/20 0.38
FOLH1 Q04609 2/20 0.37
PTPN1 P18031 4/20 0.36
CAPN1 P07384 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
SLC16A3 O15427 1/20 0.35

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
SCHEMBL2500691 0.84 TSHR (0.52) TSHRCA1CA2CA9PTGER4
SCHEMBL2499800 0.83 TSHR (0.51) TSHRCA1CA2CA9PTGER4
SCHEMBL2499033 0.83 TSHR (0.46) TSHRCA1CA2CA9PTGER4
SCHEMBL2500710 0.82 TSHR (0.52) TSHRCA1CA2CA9CYP2C9
SCHEMBL2497445 0.79 TSHR (0.47) TSHRCA1CA2CA9PTGER4
SCHEMBL2498238 0.79 TSHR (0.47) TSHRCA1CA2CA9PTGER4
SCHEMBL2502814 0.76 TSHR (0.44) TSHRCA1CA2CA9CYP2C9
SCHEMBL2504941 0.72 KMT2A (0.45) TSHRFOLH1L3MBTL1LMNASLC16A3
SCHEMBL16670764 0.70 TSHR (0.63) TSHRCA1CA2CA9PTGER4
SCHEMBL23003 0.70 TSHR (0.79) TSHRCA1CA2CA9CYP2C9

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 TSHR 738/4885CA1 3116/4885CA2 1544/4885

“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.