SCHEMBL3934944

SCHEMBL3934944

COC(=O)C(C)(C)C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP2 P08253 2/20 0.42
ANPEP P15144 1/20 0.42
MMP1 P03956 6/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
ADAM17 P78536 6/20 0.41
LMNA P02545 1/20 0.41
MMP13 P45452 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4012734 0.81 MCOLN3 (0.49) ALDH1A1KMT2AMMP2MMP1ADAM17
SCHEMBL3943471 0.81 MCOLN3 (0.49) ALDH1A1KMT2AMMP2MMP1ADAM17
SCHEMBL4051563 0.80 RAB9A (0.43) ALDH1A1KMT2AMMP2MMP1MMP3
SCHEMBL3933526 0.72 L3MBTL1 (0.41) ALDH1A1KMT2AMMP1ADAM17LMNA
SCHEMBL9685672 0.72 MCOLN3 (0.50) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL9684628 0.72 MCOLN3 (0.50) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL9211270 0.72 MCOLN3 (0.50) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL9380136 0.72 MCOLN3 (0.50) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL2389980 0.72 MCOLN3 (0.50) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL9865528 0.72 MCOLN3 (0.50) ALDH1A1KMT2AMMP2ANPEPMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 ALDH1A1 466/4885KMT2A 3832/4885MMP2 908/4885

“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.