SCHEMBL990458

SCHEMBL990458

CC(C)(C)OC(=O)C(O)[C@@H]1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4966930 1.00 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8792121 1.00 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8792638 0.91 CHRM2 (0.32) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2486522 0.91 CHRM2 (0.32) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2486520 0.91 CHRM2 (0.32) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL3905650 0.87 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL4966921 0.83 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL9093668 0.82 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1088984 0.82 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8563263 0.82 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011011598-A1 PROCESS FOR PREPARING 4- { (S) -2- (4-(4-CHLOROPHENOXY) PHENOXYMETHYL) PYRROLIDIN-1-YL) } BUTYRIC ACID AND SALTS THEREOF DECODE GENETICS EHF (IS) 2011-01-27 WO claimed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 WO disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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 (3 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SLC6A3 2113/4885SLC6A2 1331/4885SLC6A4 1452/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA SLC6A3 3311/4885SLC6A2 4244/4885SLC6A4 2502/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SLC6A3 2113/4885SLC6A2 1331/4885SLC6A4 1452/4885

“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.