SCHEMBL2247653

SCHEMBL2247653

NC(=O)CC[C@H](NCc1cccc(F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.53
MEP1B Q16820 2/20 0.48
SLC1A1 P43005 2/20 0.46
FFAR1 O14842 1/20 0.45
SRC P12931 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
SCN9A Q15858 1/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL2245584 0.86 KMT2A (0.41) FOLH1MEP1BKMT2A
SCHEMBL461572 0.84 KMT2A (0.54) FOLH1MEP1BKMT2A
SCHEMBL461571 0.84 KMT2A (0.54) FOLH1MEP1BKMT2A
SCHEMBL2247649 0.84 FOLH1 (0.56) FOLH1MEP1BSLC1A1FFAR1SRC
SCHEMBL2249541 0.84 L3MBTL1 (0.50) MEP1BKMT2A
SCHEMBL2246569 0.84 FOLH1 (0.53) FOLH1MEP1BKMT2A
SCHEMBL2250381 0.84 MRGPRX4 (0.53) MEP1BFFAR1KMT2A
SCHEMBL2247510 0.83 FOLH1 (0.49) FOLH1KMT2A
SCHEMBL2246398 0.83 KMT2A (0.41) MEP1BKMT2A
SCHEMBL2248276 0.81 MEN1 (0.51) KMT2A

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 4 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
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 FOLH1 17/4885MEP1B 2803/4885SLC1A1 60/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885MEP1B 2803/4885SLC1A1 60/4885

“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.