SCHEMBL2247002

SCHEMBL2247002

NC(=O)[C@H](CCC(=O)O)NCCc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
FOLH1 Q04609 1/20 0.52
PLAAT3 P53816 2/20 0.49
PLAAT5 Q96KN8 2/20 0.49
PLAAT2 Q9NWW9 2/20 0.49
PLAAT4 Q9UL19 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP10 P09238 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
SLC2A1 P11166 2/20 0.46
CNR1 P21554 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
SCHEMBL2246535 0.85 KEAP1 (0.49) ALDH1A1SMN1; SMN2FOLH1MMP2MMP8
SCHEMBL2251251 0.85 FFAR1 (0.46) MMP2MMP8MMP12MMP13TAAR1
SCHEMBL2247006 0.85 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2FOLH1PLAAT3
SCHEMBL2244465 0.84 FOLH1 (0.47) KMT2AFOLH1PLAAT3PLAAT5PLAAT2
SCHEMBL2249530 0.82 HDAC1 (0.49) ALDH1A1KMT2AMEN1SLC2A1
SCHEMBL2246498 0.79 LMNA (0.52) ALDH1A1KMT2ASMN1; SMN2FOLH1HPGD
SCHEMBL2248515 0.78 GGT1 (0.56) KMT2ASMN1; SMN2FOLH1MMP2MMP8
Hydrochloric Acid SCHEMBL23834239 0.77 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2FOLH1PLAAT3
SCHEMBL2245224 0.77 FOLH1 (0.50) SMN1; SMN2FOLH1PLAAT3PLAAT5PLAAT2
SCHEMBL2242394 0.77 CA12 (0.51) ALDH1A1KMT2ASMN1; SMN2PLAAT3PLAAT5

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 ALDH1A1 991/4885KMT2A 2364/4885SMN1; SMN2 2624/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ALDH1A1 991/4885KMT2A 2364/4885SMN1; SMN2 2624/4885

“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.