SCHEMBL2822839

SCHEMBL2822839

[CH]=Cc1ccc(C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SRD5A2 P31213 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
ERN1 O75460 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL2981118 0.82 ERN1 (0.54) RAB9ALMNAMAPK1HTTSRD5A2
SCHEMBL4096586 0.81 LMNA (0.49) RAB9ALMNAMAPK1HTTSRD5A2
SCHEMBL13535961 0.78 HTT (0.50) RAB9ALMNAMAPK1HTTSRD5A2
SCHEMBL22553033 0.75 NFE2L2 (0.55) RAB9ALMNAMAPK1HTTSRD5A2
SCHEMBL27151 0.74 CES2 (0.70) RAB9ALMNAMAPK1HTTSRD5A2
SCHEMBL29349680 0.74 CES2 (0.70) RAB9ALMNAMAPK1HTTSRD5A2
SCHEMBL2821711 0.73 CA12 (0.62) RAB9ALMNAMAPK1HTTSRD5A2
Hydrochloric Acid SCHEMBL31439035 0.73 CES2 (0.67) RAB9ALMNAMAPK1HTTTSHR
Hydrochloric Acid SCHEMBL10557218 0.73 CES2 (0.67) RAB9ALMNAMAPK1HTTTSHR
Hydrochloric Acid SCHEMBL31439055 0.73 CES2 (0.67) RAB9ALMNAMAPK1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A RAB9A 2042/4885LMNA 948/4885MAPK1 3462/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A RAB9A 2487/4885LMNA 1119/4885MAPK1 1928/4885

“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.