SCHEMBL6884124

SCHEMBL6884124

O=C(O)COc1ccc(/C=C2\SC(=S)N(C(CC(=O)O)C(=O)O)C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 7/20 0.66
BCL2 P10415 6/20 0.66
BAD Q92934 6/20 0.66
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 4/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PTPN1 P18031 2/20 0.57
AKR1B1 P15121 1/20 0.56
CFTR P13569 1/20 0.55
MME P08473 2/20 0.55
PLA2G1B P04054 1/20 0.55
POLB P06746 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55

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
SCHEMBL6884127 1.00 BCL2L2 (0.66) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6884990 0.89 MAPT (0.71) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6884996 0.89 MAPT (0.71) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6887541 0.85 MAPT (0.76) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6887547 0.85 MAPT (0.76) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6887088 0.84 MAPT (0.74) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6887091 0.84 MAPT (0.74) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6884114 0.84 MAPT (0.70) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6884113 0.84 MAPT (0.70) BCL2L2BCL2BADMEN1KMT2A
SCHEMBL6885634 0.82 MAPT (0.58) BCL2L2BCL2BADMEN1KMT2A

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 BCL2L2 2423/4885BCL2 1926/4885BAD 2576/4885

“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.