SCHEMBL4936935

SCHEMBL4936935

CCCNc1ccc(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
STAT6 P42226 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.44
BLM P54132 1/20 0.44
YAP1 P46937 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 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
SCHEMBL4936944 0.86 LMNA (0.53) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL15635696 0.78 ALDH1A1 (0.53) KDM4ETSHRGLAALDH1A1SMN1; SMN2
SCHEMBL6628554 0.75 S1PR3 (0.49) LMNAKDM4ETSHRADRA2ACYP2D6
SCHEMBL6628635 0.74 HTT (0.52) LMNATSHRADRA2ACYP2D6CYP2C9
SCHEMBL8350642 0.74 LMNA (0.47) LMNAKDM4ETSHRADRA2ACYP2D6
SCHEMBL2642603 0.74 CA2 (0.61) LMNAKDM4ETSHRALDH1A1YAP1
SCHEMBL7819029 0.74 KDM4E (0.76) LMNAKDM4ETSHRGLAALDH1A1
SCHEMBL2642601 0.74 LMNA (0.47) LMNAKDM4ETSHRADRA2ACYP2D6
SCHEMBL6630509 0.74 S1PR3 (0.54) LMNAKDM4ETSHRADRA2ACYP2D6
SCHEMBL2872060 0.73 LMNA (0.68) LMNATSHRALDH1A1SMN1; SMN2MAPT

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
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 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 (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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 LMNA 4438/4885KDM4E 2626/4885TSHR 1584/4885

“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.