SCHEMBL2835599

SCHEMBL2835599

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
KCNH2 Q12809 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
ADAM17 P78536 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MMP13 P45452 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL4830210 1.00 TP53 (0.48) TP53KCNH2MAOBKDM4ESIRT1
SCHEMBL2832438 0.91 KCNH2 (0.51) TP53KCNH2MAOBKDM4ESIRT1
SCHEMBL2831540 0.91 KCNH2 (0.51) TP53KCNH2MAOBKDM4ESIRT1
SCHEMBL483518 0.87 YAP1 (0.45) TP53KCNH2MAOBKDM4EMMP2
Ethane SCHEMBL483694 0.87 YAP1 (0.45) TP53KCNH2MAOBKDM4EMMP2
SCHEMBL483557 0.87 YAP1 (0.45) TP53KCNH2MAOBKDM4EMMP2
SCHEMBL483558 0.87 YAP1 (0.45) TP53KCNH2MAOBKDM4EMMP2
SCHEMBL484203 0.87 YAP1 (0.45) TP53KCNH2MAOBKDM4EMMP2
SCHEMBL4830206 0.82 HTR1A (0.46) TP53SIRT1ALDH1A1
SCHEMBL841357 0.80 KCNH2 (0.48) TP53KCNH2MAOBKDM4EALDH1A1

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 TP53 4018/4885KCNH2 3260/4885MAOB 1344/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B TP53 4347/4885KCNH2 15/4885MAOB 2215/4885

“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.