SCHEMBL6887136

SCHEMBL6887136

CCCC(C(C(=O)O)C(=O)O)N1C(=O)C(=Cc2ccc3ccccc3c2)SC1=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.55
MAPT P10636 6/20 0.52
POLB P06746 4/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 4/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
RECQL P46063 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 2/20 0.51
PSMD14 O00487 1/20 0.51
NSD2 O96028 1/20 0.51

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
SCHEMBL6886503 0.85 PTPN1 (0.57) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6883748 0.85 MAPT (0.53) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6883752 0.85 MAPT (0.53) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6884215 0.85 PTPN1 (0.59) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6884953 0.84 MAPT (0.52) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6885210 0.83 PTPN1 (0.61) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6887688 0.82 MEN1 (0.57) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6884835 0.82 MEN1 (0.51) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6884833 0.82 MEN1 (0.51) PTPN1MAPTPOLBPLA2G1BATG4B
SCHEMBL6885633 0.82 MAP3K5 (0.51) PTPN1MAPTPOLBPLA2G1BATG4B

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 2479/4885MAPT 3886/4885POLB 2514/4885

“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.