SCHEMBL2250381

SCHEMBL2250381

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
EPHX1 P07099 4/20 0.50
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MEP1B Q16820 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MLYCD O95822 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAPT P10636 1/20 0.44
MAPK14 Q16539 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
SCHEMBL2250379 0.85 FFAR1 (0.54) EPHX1FFAR1FFAR4MEP1BL3MBTL1
SCHEMBL2247653 0.84 FOLH1 (0.53) FFAR1MEP1BKMT2A
SCHEMBL2245674 0.82 MAPK14 (0.49) MRGPRX4EPHX1FFAR1MEP1BMAPK14
SCHEMBL27841361 0.82 MAPT (0.50) FFAR1FFAR4L3MBTL1MLYCDMEN1
SCHEMBL11352393 0.82 PPARG (0.55) FFAR1FFAR4MEP1BMEN1KMT2A
SCHEMBL461571 0.81 KMT2A (0.54) MEP1BKMT2A
SCHEMBL461572 0.81 KMT2A (0.54) MEP1BKMT2A
SCHEMBL2246569 0.81 FOLH1 (0.53) MRGPRX4MEP1BL3MBTL1KMT2ACYP1A2
SCHEMBL2249541 0.81 L3MBTL1 (0.50) MEP1BL3MBTL1MEN1KMT2ACYP2D6
SCHEMBL966529 0.80 SMN1; SMN2 (0.51) MRGPRX4MEN1KMT2ACYP1A2CYP3A4

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 MRGPRX4 839/4885EPHX1 1383/4885FFAR1 3780/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MRGPRX4 839/4885EPHX1 1383/4885FFAR1 3780/4885

“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.