SCHEMBL4859967

SCHEMBL4859967

CCOC(=O)C(C)Nc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTB4R Q15722 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
TP53 P04637 2/20 0.37
P2RY12 Q9H244 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GSK3B P49841 1/20 0.36
PLA2G2A P14555 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL4856378 0.92 LTB4R (0.39) MAPTSMN1; SMN2LMNANPC1MAPK1
SCHEMBL4849238 0.90 P2RY12 (0.39) MAPTSMN1; SMN2LMNANPC1MAPK1
SCHEMBL4861215 0.85 PPARG (0.40) MAPTSMN1; SMN2LMNANPC1MAPK1
SCHEMBL14263764 0.85 GSK3B (0.38) MAPTSMN1; SMN2LMNANPC1MAPK1
SCHEMBL4850624 0.83 PPARA (0.41) MAPTSMN1; SMN2LMNANPC1MAPK1
SCHEMBL4849304 0.83 CPB1 (0.42) MAPTSMN1; SMN2LMNAMAPK1TDP1
SCHEMBL4850885 0.82 PPARG (0.39) TDP1PPARGPPARAP2RY12GSK3B
SCHEMBL5659043 0.82 PPARA (0.52) PPARGPPARA
SCHEMBL4855146 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPPARGPPARAP2RY12
SCHEMBL4858080 0.81 GSK3B (0.38) MAPTSMN1; SMN2LMNANPC1MAPK1

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-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US claimed
US-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2003-01-16 US claimed
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 WO claimed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2003-01-16 US disclosed
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 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 (1 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-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them GPR119, FFAR1, FFAR3 ELANE 4680/4885MAPT 560/4885SMN1; SMN2 3836/4885

“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.