SCHEMBL3474585

SCHEMBL3474585

N#CCCCCCNc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PLK1 P53350 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL11176612 0.82 ALDH1A1 (0.57) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL14399353 0.82 SRD5A2 (0.56) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11748691 0.81 PRSS1 (0.57) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11181177 0.80 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10499055 0.80 GAA (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10498867 0.80 GAA (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10499063 0.80 GAA (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10499081 0.80 GAA (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11172921 0.80 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11175449 0.80 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6

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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 PRSS1 4593/4885F2 4122/4885PRSS2 3562/4885

“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.