SCHEMBL2247340

SCHEMBL2247340

NC(=O)CC[C@@H](C(=O)O)N(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
HDAC6 Q9UBN7 7/20 0.41
HDAC4 P56524 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA2 P00918 1/20 0.31
RAD52 P43351 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2248677 0.88 P2RX7 (0.43) P2RX7HDAC6ALDH1A1LMNA
SCHEMBL2248790 0.88 P2RX7 (0.42) P2RX7HDAC6ITGB3ITGA2BMEN1
SCHEMBL2251592 0.84 P2RX7 (0.44) P2RX7HDAC6HDAC4HDAC7HDAC11
SCHEMBL2250197 0.80 P2RX7 (0.41) P2RX7HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL2247480 0.80 FFAR1 (0.36) P2RX7HDAC6MEN1KMT2ACA2
SCHEMBL2244037 0.77 EPHX2 (0.36) P2RX7MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2247496 0.75 HSD17B2 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL4371351 0.75 KMT2A (0.40) HDAC6HDAC7HDAC8MEN1KMT2A
SCHEMBL27708328 0.69 KMT2A (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL27708464 0.67 AOC3 (0.40) MEN1KMT2ACA2ALDH1A1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
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 P2RX7 3071/4885HDAC6 139/4885HDAC4 350/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 P2RX7 3071/4885HDAC6 139/4885HDAC4 350/4885

“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.