SCHEMBL4852508

SCHEMBL4852508

CCc1nc(-c2ccccc2)cc(=O)n1CC(=O)Nc1ccc(SC(C(=O)O)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
AURKB Q96GD4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 5/20 0.40
POLB P06746 2/20 0.40
PLA2G1B P04054 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CRHR2 Q13324 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PPARG P37231 1/20 0.39
ADORA1 P30542 3/20 0.39
KAT2B Q92831 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38

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
SCHEMBL14263926 0.91 LMNA (0.43) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL4851255 0.86 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL14263912 0.80 PPARG (0.43) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL14254670 0.79 NPC1 (0.38) ALDH1A1MAPTLMNAPOLBPLA2G1B
SCHEMBL4858357 0.78 MAPT (0.35) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL4852487 0.76 KAT2B (0.47) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL4849243 0.76 POLB (0.46) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL4849212 0.76 POLB (0.38) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL4861465 0.75 POLB (0.42) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL4856384 0.74 KAT2B (0.45) ALDH1A1MAPTKDM4EMEN1HPGD

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 ALDH1A1 308/4885MAPT 560/4885KDM4E 1929/4885

“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.