SCHEMBL4170301

SCHEMBL4170301

CCc1ccc(C)c(NC(=O)C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
USP2 O75604 1/20 0.39
ADORA1 P30542 2/20 0.38
HTT P42858 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
ABL1 P00519 1/20 0.35
TP53 P04637 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
SCHEMBL9753452 0.82 KDM4E (0.40) ATMALDH1A1LMNAKDM4EGAA
SCHEMBL14999156 0.78 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2USP2ADORA1
SCHEMBL267717 0.78 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2USP2ADORA1
SCHEMBL267725 0.78 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2USP2ADORA1
SCHEMBL4171284 0.73 CHRNB2 (0.51) L3MBTL1SMN1; SMN2ADORA1RAB9ANPSR1
SCHEMBL14525220 0.72 HTR1A (0.32) USP2HTTALDH1A1MAPTHPGD
SCHEMBL8329748 0.71 NOS2 (0.44) ATML3MBTL1SMN1; SMN2HTTNPC1
SCHEMBL2494002 0.69 RAB9A (0.59) ATML3MBTL1SMN1; SMN2HTTNPC1
SCHEMBL3967355 0.67 L3MBTL1 (0.39) ATML3MBTL1SMN1; SMN2ADORA1HTT
SCHEMBL10084283 0.67 SMN1; SMN2 (0.68) SMN1; SMN2ADORA1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC ATM 3447/4885L3MBTL1 3305/4885SMN1; SMN2 4596/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC ATM 3396/4885L3MBTL1 3295/4885SMN1; SMN2 4572/4885

“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.