SCHEMBL4414979

SCHEMBL4414979

CCCCCc1ccc(S(=O)(=O)N2CC3C(C2)C3C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP13 P45452 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
SLC6A9 P48067 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4421562 0.94 ALDH1A1 (0.47) ALDH1A1KMT2AHPGDNPSR1MEN1
SCHEMBL4417870 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDNPSR1MEN1
SCHEMBL4414984 0.85 MMP1 (0.44) MMP1MMP3MMP7MMP13ALDH1A1
SCHEMBL4417779 0.84 KMT2A (0.49) ALDH1A1KMT2AHPGDNPSR1MEN1
SCHEMBL4413581 0.84 RAB9A (0.53) ALDH1A1KMT2AHPGDNPSR1MEN1
SCHEMBL4414453 0.83 EPHX2 (0.54) ALDH1A1KMT2AHPGDNPSR1MEN1
SCHEMBL4415450 0.83 MAOB (0.43) MMP1MMP3MMP7MMP13ALDH1A1
SCHEMBL4415023 0.83 SLC6A9 (0.48) ALDH1A1KMT2AHPGDNPSR1MEN1
SCHEMBL4417879 0.82 L3MBTL1 (0.52) ALDH1A1KMT2AHPGDMEN1TSHR
SCHEMBL4421514 0.81 MAPT (0.47) ALDH1A1KMT2AHPGDNPSR1MEN1

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 MMP1 4341/4885MMP3 3911/4885MMP7 4289/4885

“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.