SCHEMBL4028328

SCHEMBL4028328

COc1cc(NC(=O)/C=C(/C)c2ccc3ccsc3c2)c(C(=O)O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.49
MAPT P10636 3/20 0.47
LTB4R Q15722 1/20 0.47
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GFER P55789 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL7251979 0.92 KDM4E (0.48) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL4022703 0.83 TERT (0.71) TERTLTB4RKDM4EALDH1A1HPGD
SCHEMBL6786628 0.83 TERT (0.58) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL4021468 0.83 TERT (0.71) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL4025324 0.82 TERT (0.53) TERTLTB4RALDH1A1HPGDMEN1
SCHEMBL6786854 0.82 TERT (0.57) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL6791397 0.80 MAPT (0.52) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL4028323 0.80 KDM4E (0.60) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL7242175 0.79 TERT (0.56) TERTMAPTLTB4RKDM4EALDH1A1
SCHEMBL6792144 0.77 MAPT (0.49) TERTMAPTLTB4RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US claimed
WO-2009100323-A2 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY (US) 2009-08-13 WO claimed
US-6660764-B2 Telomerase inhibitors such as trans-3-(benzothien-6-yl)-but-2-enoic acid-N-(2-carboxy-phenyl)-amide; use as antitumor agent BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-09 US claimed
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-05 US claimed
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US disclosed
WO-2009100323-A2 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY (US) 2009-08-13 WO disclosed
US-6660764-B2 Telomerase inhibitors such as trans-3-(benzothien-6-yl)-but-2-enoic acid-N-(2-carboxy-phenyl)-amide; use as antitumor agent BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-09 US disclosed
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-05 US disclosed
WO-2002051830-A1 CARBOXAMIDES FOR USE AS TELOMERASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-04 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 (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-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH TERT 1053/4885MAPT 3467/4885LTB4R 1900/4885
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof ASS1, ADCY1, ADCY3 TERT 4749/4885MAPT 2674/4885LTB4R 2695/4885

“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.