SCHEMBL4850688

SCHEMBL4850688

CCOC(=O)C(CC)Sc1ccc(NCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RY12 Q9H244 4/20 0.36
MAPT P10636 2/20 0.36
GSK3B P49841 3/20 0.35
FAAH O00519 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
SCHEMBL4857318 0.93 MAPT (0.36) ALDH1A1P2RY12MAPTGSK3BFAAH
SCHEMBL4849243 0.91 POLB (0.46) POLBGAAALDH1A1HPGDMAPT
SCHEMBL4858357 0.89 MAPT (0.35) GAAALDH1A1HPGDP2RY12MAPT
SCHEMBL4855146 0.85 SMN1; SMN2 (0.44) SMN1; SMN2POLBGAAALDH1A1HPGD
SCHEMBL4849212 0.85 POLB (0.38) POLBGAAALDH1A1HPGDHSD17B10
SCHEMBL4851255 0.85 ALDH1A1 (0.40) POLBGAAALDH1A1HPGDMAPT
SCHEMBL4911932 0.85 PPARG (0.45) GSK3B
SCHEMBL14263905 0.82 HPGD (0.37) ALDH1A1HPGDHSD17B10P2RY12MAPT
SCHEMBL4911917 0.81 GSK3B (0.38) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL4857408 0.77 FAAH (0.37) SMN1; SMN2POLBGAAALDH1A1HPGD

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 6 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
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 SMN1; SMN2 3836/4885POLB 4027/4885GAA 318/4885

“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.