SCHEMBL4022703

SCHEMBL4022703

C/C(=C/C(=O)Nc1ccccc1C(=O)O)c1ccc2ccsc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.71
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R Q15722 1/20 0.43
DHODH Q02127 3/20 0.42
PRNP P04156 1/20 0.41
PPARG P37231 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
DEGS1 O15121 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 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
SCHEMBL4020747 0.92 TERT (0.73) TERTMEN1LMNAKMT2ATP53
SCHEMBL7242175 0.89 TERT (0.56) TERTMEN1LMNAKMT2ATP53
SCHEMBL4025324 0.86 TERT (0.53) TERTMEN1LMNAKMT2ATP53
SCHEMBL4022411 0.84 TERT (0.50) TERTMEN1LMNAKMT2ATP53
SCHEMBL29355750 0.83 TERT (1.00) TERTMEN1KMT2ALTB4RDHODH
SCHEMBL16964998 0.83 TERT (1.00) TERTMEN1KMT2ALTB4RDHODH
SCHEMBL30760782 0.83 TERT (1.00) TERTMEN1KMT2ALTB4RDHODH
SCHEMBL29966843 0.83 TERT (1.00) TERTMEN1KMT2ALTB4RDHODH
SCHEMBL29362821 0.83 TERT (1.00) TERTMEN1KMT2ALTB4RDHODH
SCHEMBL4022937 0.83 TERT (1.00) TERTMEN1KMT2ALTB4RDHODH

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 8 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
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 1053/4885MEN1 3484/4885LMNA 1746/4885
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof ASS1, ADCY1, ADCY3 TERT 4749/4885MEN1 1680/4885LMNA 3950/4885

“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.