SCHEMBL6882971

SCHEMBL6882971

Cc1ccc(C=C2SC(=S)N(C(CCCC(=O)O)CC(=O)O)C2=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
FFAR1 O14842 1/20 0.48
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CTSL P07711 1/20 0.46
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
CISD1 Q9NZ45 2/20 0.40
MAOA P21397 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6883757 0.81 MAPT (0.48) PTPN1MAPTPOLBMEN1KMT2A
SCHEMBL6881152 0.81 POLB (0.54) MAPTPOLBMEN1KMT2AHPGD
SCHEMBL6884794 0.79 CTNNB1 (0.50) PTPN1MAPTPOLBMEN1KMT2A
SCHEMBL6884984 0.78 MEN1 (0.51) PTPN1MAPTMEN1KMT2AALDH1A1
SCHEMBL6882963 0.78 PTPN1 (0.55) PTPN1MAPTPOLBMEN1KMT2A
SCHEMBL6882967 0.78 PTPN1 (0.55) PTPN1MAPTPOLBMEN1KMT2A
SCHEMBL6885450 0.78 MAPT (0.44) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6885987 0.77 FFAR1 (0.47) FFAR1MAPTPOLBMEN1KMT2A
SCHEMBL6886070 0.77 MEN1 (0.38) PTPN1FFAR1MAPTPOLBMEN1
SCHEMBL6884300 0.73 MAPT (0.60) MAPTMEN1KMT2AALDH1A1HTT

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 PTPN1 2479/4885FFAR1 239/4885MAPT 3886/4885

“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.