SCHEMBL2250276

SCHEMBL2250276

NC(=O)[C@H](CCC(=O)O)NCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
FOLH1 Q04609 4/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
NOD1 Q9Y239 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
HPGDS O60760 1/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33

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
SCHEMBL2254239 1.00 GPR84 (0.44) GPR84FFAR1FFAR4FOLH1RIMKLA
SCHEMBL2251083 0.85 NOD1 (0.51) GPR84FFAR1FFAR4NOD1PTPN1
SCHEMBL2244646 0.85 NOD1 (0.51) GPR84FFAR1FFAR4NOD1PTPN1
SCHEMBL30812451 0.85 NOD1 (0.51) GPR84FFAR1FFAR4NOD1PTPN1
Hydrochloric Acid SCHEMBL29178099 0.84 NOD1 (0.50) GPR84FFAR1FFAR4NOD1PTPN1
SCHEMBL28835927 0.83 NOD1 (0.49) GPR84FFAR1FFAR4NOD1PTPN1
SCHEMBL2247417 0.83 NOD1 (0.49) GPR84FFAR1FFAR4NOD1PTPN1
SCHEMBL8634866 0.83 GPR84 (0.38) GPR84FFAR1FFAR4CAMK2ANOD1
Ammonia Solution, Strong SCHEMBL27489455 0.82 NOD1 (0.48) GPR84FFAR1FFAR4NOD1PTPN1
SCHEMBL28308288 0.81 GPR84 (0.34) GPR84FFAR1FFAR4CAMK2AFNTA

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 GPR84 817/4885FFAR1 3780/4885FFAR4 4129/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 GPR84 817/4885FFAR1 3780/4885FFAR4 4129/4885

“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.