SCHEMBL2500691

SCHEMBL2500691

Cc1cc(Cc2ccccc2C(=O)O)ccc1[C@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.42
BRS3 P32247 1/20 0.42
SLC16A3 O15427 1/20 0.41
PTGER4 P35408 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
HNF4A P41235 1/20 0.39
FOLH1 Q04609 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2498231 0.84 TSHR (0.50) TSHRCA1CA2CA9SLC16A3
SCHEMBL2497445 0.81 TSHR (0.47) TSHRCA1CA2CA9PTGER4
SCHEMBL2498238 0.81 TSHR (0.47) TSHRCA1CA2CA9PTGER4
SCHEMBL2499033 0.80 TSHR (0.46) TSHRCA1CA2CA9PTGER4
SCHEMBL926494 0.77 HMGB1 (0.60) TSHRCA1CA2CA9HTT
SCHEMBL10692630 0.75 TSHR (0.72) TSHRCA1CA2CA9SLC16A3
SCHEMBL4908158 0.75 TSHR (0.72) TSHRCA1CA2CA9HTT
SCHEMBL28205348 0.74 TSHR (0.61) TSHRCA1CA2CA9HTT
SCHEMBL2628166 0.74 TSHR (0.57) TSHRCA1CA2CA9BRS3
SCHEMBL2504941 0.74 KMT2A (0.45) TSHRHTTBRS3SLC16A3LMNA

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.