SCHEMBL6883757

SCHEMBL6883757

Cc1cccc(C=C2SC(=S)N(C(CCCC(=O)O)CC(=O)O)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CISD1 Q9NZ45 2/20 0.46
MAOA P21397 1/20 0.46
AKR1B1 P15121 2/20 0.46
CTNNB1 P35222 2/20 0.45
BCL2 P10415 1/20 0.45
BCL2L2 Q92843 1/20 0.45
TCF4 P15884 1/20 0.45
CFTR P13569 1/20 0.45
PTPN1 P18031 3/20 0.45
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6884841 0.81 POLB (0.46) MAPTPOLBPLA2G1BATG4BMEN1
SCHEMBL6882971 0.81 PTPN1 (0.49) MAPTPOLBPLA2G1BATG4BMEN1
SCHEMBL6884300 0.80 MAPT (0.60) MAPTMEN1KMT2AALDH1A1CTNNB1
SCHEMBL12008623 0.80 CTNNB1 (0.68) MAPTPOLBPLA2G1BATG4BMEN1
SCHEMBL6881152 0.79 POLB (0.54) MAPTPOLBPLA2G1BATG4BMEN1
SCHEMBL6885987 0.79 FFAR1 (0.47) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6888296 0.79 CTNNB1 (0.52) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6884984 0.78 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1AKR1B1
SCHEMBL12008448 0.77 CISD1 (0.76) MAPTMEN1KMT2AALDH1A1CISD1
SCHEMBL6883752 0.77 MAPT (0.53) MAPTPOLBPLA2G1BATG4BMEN1

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-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 MAPT 3886/4885POLB 2514/4885PLA2G1B 3423/4885

“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.