SCHEMBL414767

SCHEMBL414767

COC(=O)c1ccc2c(c1)CC(C(=O)O)CO2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
TP53 P04637 4/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
MTNR1A P48039 2/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 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
SCHEMBL3659820 0.85 POLB (0.48) ROCK2TP53MAPTLMNAMTNR1A
SCHEMBL27927241 0.84 TDP1 (0.55) ROCK2TP53LMNATDP1CYP4F2
SCHEMBL416596 0.82 ROCK2 (0.50) ROCK2TP53MAPTMTNR1ARAB9A
SCHEMBL25959765 0.81 ROCK2 (0.53) ROCK2TP53MAPTLMNAMTNR1A
SCHEMBL1519154 0.81 ROCK2 (0.55) ROCK2TP53LMNAPOLBTDP1
SCHEMBL28379701 0.81 TP53 (0.63) ROCK2TP53MAPTLMNAMTNR1A
SCHEMBL1519082 0.81 TP53 (0.63) ROCK2TP53MAPTLMNAMTNR1A
SCHEMBL22165412 0.81 TP53 (0.63) ROCK2TP53MAPTLMNAMTNR1A
SCHEMBL30292011 0.81 TP53 (0.63) ROCK2TP53MAPTLMNAMTNR1A
SCHEMBL29654164 0.79 MTNR1A (0.51) ROCK2TP53MAPTMTNR1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-03 US disclosed
US-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-03 US disclosed
US-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-03 US disclosed
EP-2234486-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079011-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-06-25 WO disclosed
WO-2009079011-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-06-25 WO 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-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, ROCK2, ARHGDIB ROCK2 2/4885TP53 2288/4885MAPT 168/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS ROCK2 2370/4885TP53 40/4885MAPT 4852/4885

“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.