SCHEMBL6887541

SCHEMBL6887541

O=C(O)CC(C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.76
BCL2 P10415 6/20 0.65
BCL2L2 Q92843 6/20 0.65
BAD Q92934 5/20 0.65
POLB P06746 3/20 0.65
MME P08473 2/20 0.65
PLA2G1B P04054 1/20 0.65
ATG4B Q9Y4P1 1/20 0.65
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
MAP3K5 Q99683 2/20 0.60
KDM4E B2RXH2 2/20 0.59
ALPL P05186 2/20 0.59
RECQL P46063 2/20 0.59
APAF1 O14727 1/20 0.59

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
SCHEMBL6887547 1.00 MAPT (0.76) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6884113 0.95 MAPT (0.70) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6884114 0.95 MAPT (0.70) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6887091 0.89 MAPT (0.74) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6887088 0.89 MAPT (0.74) MAPTBCL2BCL2L2BADPOLB
SCHEMBL19430434 0.86 MAPT (1.00) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6885627 0.86 MAPT (0.58) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6885634 0.86 MAPT (0.58) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6879167 0.86 POLB (0.68) MAPTBCL2BCL2L2BADPOLB
SCHEMBL6879163 0.86 POLB (0.68) MAPTBCL2BCL2L2BADPOLB

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 3886/4885BCL2 1926/4885BCL2L2 2423/4885

“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.