SCHEMBL5100485

SCHEMBL5100485

C=CCC(C(=O)OCC)c1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MDM2 Q00987 5/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
OXER1 Q8TDS5 1/20 0.34
CACNA1B Q00975 1/20 0.34
ALOX15 P16050 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PHGDH O43175 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL5096665 0.74 L3MBTL1 (0.44) LMNAL3MBTL1ALDH1A1MDM2TP53
SCHEMBL4389624 0.73 AKR1C3 (0.49) LMNAL3MBTL1NR1H2NR1H3
SCHEMBL17205411 0.72 KDM4E (0.45) ALDH1A1KDM4ENR1H2NR1H3
SCHEMBL3091728 0.72 LMNA (0.49) LMNAL3MBTL1ALDH1A1TP53TDP1
SCHEMBL29631993 0.70 NR1H2 (0.41) LMNAL3MBTL1OXER1NR1H2NR1H3
SCHEMBL18990363 0.70 NR1H2 (0.40) LMNAL3MBTL1OXER1NR1H2NR1H3
SCHEMBL19013549 0.70 NR1H2 (0.41) LMNAL3MBTL1OXER1NR1H2NR1H3
SCHEMBL18851069 0.70 NR1H2 (0.40) LMNAL3MBTL1ALDH1A1HPGDNR1H2
SCHEMBL17205594 0.70 ITGA4 (0.47) LMNAL3MBTL1ALDH1A1TDP1MAPT
SCHEMBL4387957 0.69 NR1H2 (0.40) LMNAL3MBTL1OXER1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 LMNA 2898/4885L3MBTL1 4590/4885ALDH1A1 328/4885

“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.