SCHEMBL2247401

SCHEMBL2247401

CC(C)(c1ccccc1)N(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 3/20 0.40
TNKS O95271 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
F10 P00742 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2244942 0.80 NPC1 (0.42) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL4623713 0.78 TRPM8 (0.46) EPORAKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL4623548 0.75 ALOX5 (0.43) EPORAKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL2247555 0.69 HPGDS (0.65) NPC1AKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL4365442 0.68 MMP12 (0.42) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4650065 0.67 TRPM8 (0.44) EPORAKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL27805530 0.67 TRPM8 (0.44) NPC1RAB9AALDH1A1LMNAHDAC8
SCHEMBL20812516 0.67 AKR1C3 (0.58) NPC1RAB9APOLBCYP2C9AKR1C3
SCHEMBL7950682 0.66 AKR1C3 (0.66) NPC1AKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL9182454 0.66 AKR1C3 (0.57) EPORNPC1RAB9APOLBCYP2C9

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-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 EPOR 4153/4885NPC1 3103/4885RAB9A 3609/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 EPOR 4153/4885NPC1 3103/4885RAB9A 3609/4885

“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.