SCHEMBL2498232

SCHEMBL2498232

C[C@H](O)c1ccc(Cc2c(C(=O)O)cccc2C(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 1/20 0.33
HNF4A P41235 1/20 0.33
APP P05067 1/20 0.32
PTGER4 P35408 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
COPS5 Q92905 1/20 0.32
PTGS1 P23219 4/20 0.31
PTGS2 P35354 4/20 0.31
PTGER2 P43116 1/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL2499036 0.81 PDE4A (0.40) TSHRALDH1A1KMT2ATDP1LMNA
SCHEMBL2497448 0.77 NOTUM (0.36) TSHRALDH1A1PTGS1PTGS2NOTUM
SCHEMBL29089726 0.75 CLCN2 (0.41) TSHRALDH1A1GAAKMT2ATDP1
SCHEMBL31336042 0.69 ALB (0.59) TSHRALDH1A1GAAKMT2ATDP1
SCHEMBL30281127 0.69 ALDH1A1 (0.56) ALDH1A1GAAKMT2ATDP1LMNA
SCHEMBL465752 0.69 ALDH1A1 (0.56) ALDH1A1GAAKMT2ATDP1LMNA
SCHEMBL27988953 0.69 CYP1A2 (0.53) TSHRALDH1A1GAAKMT2AHNF4A
SCHEMBL6653624 0.69 AKR1C3 (0.53) TSHRALDH1A1KMT2AHNF4AAKR1C3
SCHEMBL29723345 0.68 TSHR (0.53) TSHRALDH1A1GAAKMT2ATDP1
SCHEMBL6242550 0.68 TSHR (0.53) TSHRALDH1A1GAAKMT2ATDP1

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 738/4885ALDH1A1 1939/4885GAA 3965/4885

“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.