SCHEMBL2835604

SCHEMBL2835604

N#CCC[C@@]1(C(=O)O)CC[C@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.43
KCNH2 Q12809 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAOB P27338 3/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TP53 P04637 1/20 0.39
MMP13 P45452 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL2834210 0.90 KCNH2 (0.43) GUSBKCNH2ALDH1A1KDM4EHPGD
SCHEMBL2839962 0.90 KCNH2 (0.43) GUSBKCNH2ALDH1A1KDM4EHPGD
SCHEMBL1104543 0.81 YAP1 (0.43) GUSBALDH1A1SMN1; SMN2TP53
SCHEMBL2831509 0.80 KCNH2 (0.46) GUSBKCNH2ALDH1A1HPGDMAOB
SCHEMBL2834323 0.78 KCNH2 (0.52) KCNH2MAOBPARP10
SCHEMBL2835599 0.78 TP53 (0.48) KCNH2ALDH1A1KDM4EMAOBTP53
SCHEMBL4830210 0.78 TP53 (0.48) KCNH2ALDH1A1KDM4EMAOBTP53
SCHEMBL2831540 0.74 KCNH2 (0.51) KCNH2ALDH1A1KDM4EMAOBPARP10
SCHEMBL2832438 0.74 KCNH2 (0.51) KCNH2ALDH1A1KDM4EMAOBPARP10
SCHEMBL841357 0.74 KCNH2 (0.48) KCNH2ALDH1A1KDM4EMAOBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 GUSB 797/4885KCNH2 3260/4885ALDH1A1 895/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B GUSB 4844/4885KCNH2 15/4885ALDH1A1 1652/4885

“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.