SCHEMBL6232433

SCHEMBL6232433

COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.53
S1PR1 P21453 2/20 0.53
FUCA1 P04066 2/20 0.51
USP30 Q70CQ3 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
RORC P51449 1/20 0.48

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
SCHEMBL585357 1.00 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL585358 1.00 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL6232439 1.00 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL9112639 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL585359 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL8229357 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL9112633 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL19064205 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL5119476 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL19121611 0.95 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872141-B2 Processes for the manufacture of a pyrrolidine-3,4-dicarboxamide derivative HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-7872141-B2 Processes for the manufacture of a pyrrolidine-3,4-dicarboxamide derivative HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE HOFFMANN-LA ROCHE, INC. 2008-09-04 US disclosed
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE HOFFMANN-LA ROCHE, INC. 2008-09-04 US disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 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 (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-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 S1PR5 2196/4885S1PR1 1690/4885FUCA1 2549/4885
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE ALDH18A1, CPS1, DHPS S1PR5 3406/4885S1PR1 4283/4885FUCA1 3645/4885

“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.