SCHEMBL4421597

SCHEMBL4421597

CC(C)(C)c1ccc(S(=O)(=O)N2CC3C(CNC(=O)c4ccc(N5CCCC5=O)cc4)C3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.51
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CNR1 P21554 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CYP1A2 P05177 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
SCHEMBL4421599 0.86 AKR1C3 (0.53) AKR1C3TP53MEN1NPC1RAB9A
SCHEMBL4421379 0.85 HSD17B10 (0.53) HSD17B10TP53MEN1NPC1RAB9A
SCHEMBL4418919 0.84 MAPT (0.53) HSD17B10MEN1NPC1RAB9AKMT2A
SCHEMBL4414550 0.79 TGM2 (0.45) MEN1KMT2AALDH1A1LMNA
SCHEMBL4421362 0.78 ALDH1A1 (0.56) TP53NPC1RAB9AKMT2AALDH1A1
SCHEMBL4421382 0.75 HPGD (0.49) HSD17B10TP53MEN1NPC1RAB9A
SCHEMBL2167658 0.75 AKR1C3 (0.43) AKR1C3TP53MEN1NPC1RAB9A
SCHEMBL4419256 0.74 MAOA (0.50) HSD17B10MEN1NPC1KMT2AALDH1A1
SCHEMBL18887173 0.73 AKR1C3 (0.42) AKR1C3TP53MEN1NPC1RAB9A
SCHEMBL4646455 0.71 TP53 (0.57) AKR1C3TP53NPC1RAB9AALDH1A1

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
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
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US 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 AKR1C3 2564/4885HSD17B10 2567/4885TP53 3414/4885

“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.