Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247408

SCHEMBL2247408

SCHEMBL2247408

CC(C)(Cc1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)s1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.41
▸ HSD17B2 P37059 6/20 0.41
▸ HSD17B1 P14061 4/20 0.41
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL2244955 0.96 HSD17B2 (0.45) ACKR3HSD17B2HSD17B1RAB9AMEN1
SCHEMBL2249514 0.96 HSD17B2 (0.42) ACKR3HSD17B2HSD17B1RAB9AMEN1
SCHEMBL2247439 0.93 HSD17B2 (0.43) ACKR3HSD17B2HSD17B1RAB9AKDM4E
SCHEMBL2247375 0.92 IKBKB (0.39) ACKR3HSD17B2HSD17B1RAB9AMEN1
SCHEMBL2254228 0.92 HSD17B2 (0.49) HSD17B2HSD17B1HDAC6
SCHEMBL2247935 0.92 MKNK1 (0.43) ACKR3HSD17B2HSD17B1MAPTHDAC6
SCHEMBL2249788 0.91 IKBKB (0.39) HSD17B2HSD17B1RAB9AKDM4ENPC1
SCHEMBL4624086 0.90 HSD17B2 (0.39) ACKR3HSD17B2HSD17B1RAB9AMEN1
SCHEMBL2247405 0.88 ACKR3 (0.42) ACKR3HSD17B2HSD17B1KDM4EHDAC6
SCHEMBL27708405 0.87 IKBKB (0.41) ACKR3HSD17B2HSD17B1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 — — US 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 ACKR3 2015/4885HSD17B2 2502/4885HSD17B1 2139/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ACKR3 2015/4885HSD17B2 2502/4885HSD17B1 2139/4885

“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.