SCHEMBL6888053

SCHEMBL6888053

COc1ccc(OC)c(C=C2SC(=S)N(C(CC(=O)O)C(=O)O)C2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.71
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
MAPK1 P28482 4/20 0.71
TAS2R14 Q9NYV8 1/20 0.66
ALDH1A1 P00352 4/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTPN1 P18031 4/20 0.55
POLB P06746 3/20 0.53
RECQL P46063 1/20 0.52
MAP3K5 Q99683 3/20 0.51
NSD2 O96028 1/20 0.50

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
SCHEMBL6888051 1.00 MAPT (0.71) MAPTMEN1KMT2AMAPK1TAS2R14
SCHEMBL6878510 0.84 PTPN1 (0.56) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL6878505 0.84 PTPN1 (0.56) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL6885684 0.84 MAPT (0.66) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL6885682 0.84 MAPT (0.66) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL17319547 0.81 TAS2R14 (0.81) MAPTMEN1KMT2AMAPK1TAS2R14
SCHEMBL6887142 0.80 MEN1 (0.78) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL6887140 0.80 MEN1 (0.78) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7898031 0.80 MAPT (0.59) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL1279501 0.80 TAS2R14 (1.00) MAPTMEN1KMT2AMAPK1TAS2R14

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 3886/4885MEN1 838/4885KMT2A 1995/4885

“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.