SCHEMBL6832704

SCHEMBL6832704

N#Cc1cccc(C(=O)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
VNN1 O95497 11/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.47
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL60691 0.93 GSK3B (0.62) GSK3BMRGPRX4XDHSLC22A12
SCHEMBL29441888 0.93 GSK3B (0.62) GSK3BMRGPRX4XDHSLC22A12
SCHEMBL27820119 0.91 GSK3B (0.61) GSK3BMRGPRX4XDHSLC22A12
Hydrochloric Acid SCHEMBL2031438 0.91 GSK3B (0.61) GSK3BMRGPRX4XDHSLC22A12
SCHEMBL11706688 0.91 GSK3B (0.61) GSK3BMRGPRX4XDHSLC22A12
SCHEMBL27804665 0.91 GSK3B (0.61) GSK3BMRGPRX4XDHSLC22A12
SCHEMBL4201889 0.89 ATM (0.63) GSK3BVNN1ATMTDP1L3MBTL1
SCHEMBL766131 0.82 ATM (0.76) ATMTDP1L3MBTL1
SCHEMBL11832713 0.82 PTGS1 (0.57) GSK3BVNN1ATMTDP1L3MBTL1
SCHEMBL5529069 0.82 XDH (0.62) GSK3BXDHSLC22A12

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
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US claimed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 EP claimed
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US disclosed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives CCNY, ACLY, IWS1 GSK3B 3177/4885VNN1 3555/4885ATM 3136/4885

“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.