SCHEMBL5885878

SCHEMBL5885878

COC(=O)CCC1CCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
PAX8 Q06710 1/20 0.57
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL5885809 0.85 PSEN1 (0.51) RAB9APAX8NCOA1NCOA3MAPK1
SCHEMBL21132496 0.82 PSEN1 (0.55) RAB9APAX8NCOA1NCOA3TSHR
SCHEMBL19011491 0.82 PSEN1 (0.55) RAB9APAX8NCOA1NCOA3TSHR
SCHEMBL5886009 0.80 HTR7 (0.55) RAB9APAX8NCOA1NCOA3GAA
SCHEMBL12169307 0.80 CASP3 (0.64) RAB9APAX8CASP1CASP3CASP7
SCHEMBL15013036 0.80 CASP3 (0.64) RAB9APAX8CASP1CASP3CASP7
SCHEMBL15013035 0.80 CASP3 (0.64) RAB9APAX8CASP1CASP3CASP7
SCHEMBL6302770 0.79 BRD4 (0.57) RAB9APAX8TSHRMAPK1GAA
SCHEMBL5885963 0.79 BRD4 (0.57) RAB9APAX8TSHRMAPK1GAA
SCHEMBL5885959 0.79 BRD4 (0.57) RAB9APAX8TSHRMAPK1GAA

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-6995182-B2 1-sulfonyl pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20030212066-A1 1-Sulfonyl pyrrolidine derivatives MUTEL VINCENT (FR) 2003-11-13 US disclosed
US-6589978-B2 Therapy for nervous system disorders HOFFMAN-LA ROCHE INC. 2003-07-08 US disclosed
EP-1299383-A1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-09 EP disclosed
US-20020019424-A1 1-sulfonyl pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 US disclosed
WO-2002002554-A1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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-20030212066-A1 1-Sulfonyl pyrrolidine derivatives GRM1, GRM2, GRIN1 RAB9A 2766/4885PAX8 2391/4885NCOA1 488/4885
US-20020019424-A1 1-sulfonyl pyrrolidine derivatives GRM1, GRM2, GRIN1 RAB9A 2766/4885PAX8 2391/4885NCOA1 488/4885

“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.