SCHEMBL16033005

SCHEMBL16033005

COc1ccc(S(=O)(=O)N2CC(N)C(c3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
NPC1 O15118 1/20 0.52
PKLR P30613 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CCR6 P51684 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.47
HSD11B1 P28845 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL16033002 1.00 PKM (0.52) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL16033007 1.00 PKM (0.52) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL16030436 0.80 L3MBTL1 (0.47) ALDH1A1KDM4ECCR6MAPTHSD11B1
SCHEMBL16030437 0.80 L3MBTL1 (0.47) ALDH1A1KDM4ECCR6MAPTHSD11B1
SCHEMBL16030433 0.80 L3MBTL1 (0.47) ALDH1A1KDM4ECCR6MAPTHSD11B1
SCHEMBL16032236 0.75 KDM4E (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16032235 0.75 KDM4E (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16032233 0.75 KDM4E (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1795644 0.74 ALDH1A1 (0.71) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL16031960 0.74 SLC6A9 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 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 (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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 PKM 693/4885NPC1 503/4885PKLR 1173/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 PKM 693/4885NPC1 503/4885PKLR 1173/4885

“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.