SCHEMBL3170253

SCHEMBL3170253

Cc1ccc(S(=O)(=O)N2CCC(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CYP3A4 P08684 1/20 0.45
POLB P06746 1/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
USP5 P45974 1/20 0.44

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
SCHEMBL3151519 0.89 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL3158121 0.81 CTSK (0.53) TSHRKMT2ACTSSCTSK
SCHEMBL29508846 0.78 LMNA (0.66) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL27002602 0.78 CTSS (0.56) TSHRKMT2APPARGPPARACTSS
SCHEMBL5891513 0.78 CTSS (0.56) TSHRKMT2APPARGPPARACTSS
SCHEMBL27129801 0.78 CTSS (0.56) TSHRKMT2APPARGPPARACTSS
SCHEMBL956164 0.77 CTSS (0.68) MEN1KMT2APPARGPPARACTSS
SCHEMBL956167 0.77 CTSS (0.68) MEN1KMT2APPARGPPARACTSS
SCHEMBL1351322 0.77 CTSS (0.68) MEN1KMT2APPARGPPARACTSS
SCHEMBL6981849 0.77 KMT2A (0.57) ALDH1A1MEN1KMT2ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 US disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 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-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 ALDH1A1 1496/4885TSHR 3062/4885MEN1 4024/4885

“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.