SCHEMBL6022962

SCHEMBL6022962

CS(=O)(=O)OCC[C@H](COS(C)(=O)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
SYK P43405 1/20 0.49
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CTSK P43235 3/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL6022494 1.00 CTRB1 (0.51) CTRB1SYKELANEATMCA12
SCHEMBL6022051 1.00 CTRB1 (0.51) CTRB1SYKELANEATMCA12
SCHEMBL24012785 0.94 CTRB1 (0.50) CTRB1SYKATMCA12CA1
SCHEMBL5141850 0.93 CTRB1 (0.49) CTRB1SYKELANEATMCA12
SCHEMBL14665176 0.93 CTRB1 (0.49) CTRB1SYKELANEATMCA12
SCHEMBL5141853 0.93 CTRB1 (0.49) CTRB1SYKELANEATMCA12
SCHEMBL5141852 0.93 CTRB1 (0.49) CTRB1SYKELANEATMCA12
SCHEMBL12208730 0.90 SYK (0.52) CTRB1SYKELANEATMCA12
SCHEMBL20640409 0.90 SYK (0.52) CTRB1SYKELANEATMCA12
SCHEMBL19050929 0.90 SYK (0.52) CTRB1SYKELANEATMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
EP-1546096-B1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2006-09-06 EP disclosed
US-7064199-B2 Process for the manufacture of 3-amino-pyrrolidine derivatives BASILEA PHARMACEUTICA AG (CH) 2006-06-20 US disclosed
EP-1546096-A1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES Basilea Pharmaceutica AG (CH) 2005-06-29 EP disclosed
US-6872836-B2 Process for the manufacture of 3-amino-pyrrolidine derivatives BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2005-03-29 US disclosed
US-20040127703-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives MULLER MARC (FR) 2004-07-01 US disclosed
US-20040034236-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives BASILEA PHARMACEUTICA AG (CH) 2004-02-19 US disclosed
WO-2004013097-A1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2004-02-12 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 (3 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-20040127703-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives PRMT1, PEPD, PRMT3 CTRB1 1045/4885SYK 2763/4885ELANE 3218/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 CTRB1 3933/4885SYK 933/4885ELANE 2932/4885
US-20040034236-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives PRMT1, PEPD, PRMT3 CTRB1 1952/4885SYK 3844/4885ELANE 3744/4885

“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.