SCHEMBL2168043

SCHEMBL2168043

O=C(O)c1ccc(S(=O)(=O)N2CC3C(CN(C(=O)c4cccs4)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
MAOB P27338 2/20 0.42
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 2/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2167472 0.94 KMT2A (0.42) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2177825 0.93 KMT2A (0.45) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2168634 0.93 KMT2A (0.43) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2169110 0.92 KMT2A (0.44) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2168443 0.92 KMT2A (0.44) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2168988 0.92 KMT2A (0.44) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2169061 0.91 KMT2A (0.43) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2167966 0.91 KMT2A (0.43) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2167129 0.91 KMT2A (0.41) NPC1RAB9AKMT2AMAOBPOLB
SCHEMBL2167919 0.91 KMT2A (0.42) NPC1RAB9AKMT2AMAOBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
JP-4732354-B2 2011-07-27 JP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 NPC1 301/4885RAB9A 816/4885KMT2A 1892/4885

“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.