SCHEMBL1066709

SCHEMBL1066709

CC(N)c1ccc2oc3ccccc3c2c1C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 1/20 0.39
CSNK2A2 P19784 1/20 0.39
PTGS1 P23219 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
VKORC1 Q9BQB6 1/20 0.37
TTR P02766 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 2/20 0.36
MAPT P10636 2/20 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
SCHEMBL11204321 0.77 MAOA (0.42) MMP12MMP13KDM4EUSP2CSNK2A2
SCHEMBL21650697 0.73 ALDH1A1 (0.41) KDM4EUSP2NPC1RAB9AKMT2A
SCHEMBL28089760 0.71 MAOA (0.39) KDM4EVKORC1NPC1RAB9AKMT2A
SCHEMBL10943956 0.70 MAOA (0.54) KDM4EUSP2CSNK2A2PTGS1CSNK2B
Xanthone SCHEMBL29093500 0.70 MAOA (0.62) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL11485002 0.70 MMP12 (0.52) MMP12MMP13KDM4EPTGS1NPC1
Hydrochloric Acid SCHEMBL11637777 0.69 CYP2C19 (0.50) USP2PTGS1TTRKMT2AMEN1
SCHEMBL11640926 0.69 CYP2C19 (0.50) USP2PTGS1TTRKMT2AMEN1
SCHEMBL28761758 0.69 VKORC1 (0.69) KDM4EVKORC1KMT2AMEN1ALDH1A1
SCHEMBL3701250 0.68 PTGS2 (0.52) KDM4EPTGS1KMT2AMEN1SMN1; SMN2

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
US-20110009343-A1 MODULATORS OF AMYLOID AGGREGATION PRAECIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-7658917-B2 Modulators of amyloid aggregation PRAECIS PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-20040005307-A1 Modulators of amyloid aggregation PRAECIS PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20020098173-A1 Modulators of amyloid aggregation PRAECIS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
EP-0815134-B1 MODULATORS OF AMYLOID AGGREGATION PRAECIS PHARM INC (US) 2002-06-05 EP disclosed
US-6319498-B1 AMYLOIDOGENIC PROTEIN, OR FRAGMENT THEREOF, MODIFIED WITH CIS-DECALIN GROUP, CHOLANOYL STRUCTURE, CHOLYL GROUP, DIETHYLENETRIAMINEPENTAACETYL GROUP, MENTHOXYACETYL GROUP, FLUORESCEIN-CONTAINING GROUP, OR N-ACETYLNEURAMINYL GROUP PRAECIS PHARMACEUTICALS INCORPORATED 2001-11-20 US disclosed
US-5854204-A Aβ peptides that modulate β-amyloid aggregation PRAECIS PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
EP-0815134-A1 MODULATORS OF AMYLOID AGGREGATION Praecis Pharmaceuticals Incorporated (US) 1998-01-07 EP disclosed
WO-1996028471-A1 MODULATORS OF AMYLOID AGGREGATION PRAECIS PHARMACEUTICALS INCORPORATED (US) 1996-09-19 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 (3 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-20110009343-A1 MODULATORS OF AMYLOID AGGREGATION APP, IAPP, APBA1 MMP12 3040/4885MMP13 4395/4885KDM4E 4182/4885
US-20040005307-A1 Modulators of amyloid aggregation APP, IAPP, APBA1 MMP12 3427/4885MMP13 4412/4885KDM4E 4176/4885
US-20020098173-A1 Modulators of amyloid aggregation APP, IAPP, APBA1 MMP12 3427/4885MMP13 4412/4885KDM4E 4176/4885

“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.