SCHEMBL3780136

SCHEMBL3780136

CS(=O)(=O)OC1CCCC1(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.46
GRIN2B Q13224 9/20 0.45
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
HTT P42858 1/20 0.43
CYP3A4 P08684 3/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 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
SCHEMBL1043277 0.94 NPC1 (0.39) SMN1; SMN2NPC1RAB9A
SCHEMBL3788783 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1042956 0.84 NPC1 (0.38) SMN1; SMN2NPC1RAB9A
SCHEMBL3789396 0.84 PDE4B (0.40) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3776399 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL375302 0.76 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1043158 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3782495 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3785614 0.76 CYP17A1 (0.46) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL3787712 0.75 HTT (0.45) SMN1; SMN2HTTMMP2MMP9TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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 (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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R SMN1; SMN2 3384/4885NPC1 1976/4885RAB9A 3519/4885

“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.