SCHEMBL2244465

SCHEMBL2244465

NC(=O)[C@H](CCC(=O)O)NCCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.46
IDO1 P14902 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL2246535 0.87 KEAP1 (0.49) FOLH1FFAR1MMP2MMP8MMP12
SCHEMBL2244983 0.86 FOLH1 (0.47) FOLH1POLBKMT2AFFAR1IDO1
SCHEMBL2248684 0.86 FOLH1 (0.47) FOLH1KMT2AFFAR1PLAAT3PLAAT5
SCHEMBL2247002 0.84 ALDH1A1 (0.57) FOLH1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL2244468 0.83 HSD17B10 (0.47) FOLH1LMNAPOLBKMT2AIDO1
SCHEMBL2248284 0.83 SMN1; SMN2 (0.51) KMT2AFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL9566226 0.82 LMNA (0.50) LMNAPOLBKMT2AIDO1HSD17B10
Hydrochloric Acid SCHEMBL8701160 0.81 LMNA (0.49) LMNAPOLBKMT2AIDO1HSD17B10
Trifluoroacetic Acid SCHEMBL30882329 0.80 PLAAT3 (0.44) LMNAPOLBKMT2APLAAT3PLAAT5
SCHEMBL2248515 0.79 GGT1 (0.56) FOLH1LMNAKMT2AMMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 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 (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 FOLH1 17/4885LMNA 4015/4885POLB 3997/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885LMNA 4015/4885POLB 3997/4885

“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.