SCHEMBL2248402

SCHEMBL2248402

NC(=O)[C@H](CCC(=O)O)NCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
FOLH1 Q04609 3/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
RIMKLA Q8IXN7 1/20 0.34
HPGDS O60760 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GGH Q92820 1/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30

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
SCHEMBL2248405 0.82 HSD11B1 (0.39) HSD11B1FOLH1NAALAD2RIMKLAL3MBTL1
SCHEMBL2251860 0.79 HSD11B1 (0.38) HSD11B1FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL2249643 0.76 TDP1 (0.41) FOLH1NAALAD2RIMKLAHPGDSCYP1A2
SCHEMBL28446017 0.69 FOLH1 (0.48) FOLH1NAALAD2RIMKLAHPGDSCYP1A2
SCHEMBL16291310 0.67 FOLH1 (0.40) FOLH1NAALAD2RIMKLACYP1A2CYP2C19
SCHEMBL4621858 0.66 FOLH1 (0.41) FOLH1NAALAD2RIMKLAHPGDSCYP1A2
SCHEMBL2242492 0.66 FOLH1 (0.41) FOLH1NAALAD2RIMKLAHPGDSCYP1A2
SCHEMBL6159955 0.66 HSD11B1 (0.61) HSD11B1LMNAL3MBTL1
SCHEMBL18467856 0.66 FOLH1 (0.48) FOLH1NAALAD2RIMKLAHPGDSCYP1A2
SCHEMBL13465054 0.66 FOLH1 (0.48) FOLH1NAALAD2RIMKLAHPGDSCYP1A2

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 HSD11B1 3639/4885FOLH1 17/4885NAALAD2 39/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD11B1 3639/4885FOLH1 17/4885NAALAD2 39/4885

“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.