SCHEMBL6884827

SCHEMBL6884827

CC(C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.67
AKR1B1 P15121 2/20 0.67
MMP3 P08254 1/20 0.67
MMP13 P45452 1/20 0.67
BCL2L2 Q92843 5/20 0.66
BAD Q92934 5/20 0.66
BCL2 P10415 4/20 0.66
ADAMTS5 Q9UNA0 3/20 0.66
MAPT P10636 4/20 0.63
CRHBP P24387 2/20 0.63
CRHR2 Q13324 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PLA2G1B P04054 1/20 0.58
POLB P06746 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58

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
SCHEMBL6884831 1.00 PTPN1 (0.67) PTPN1AKR1B1MMP3MMP13BCL2L2
SCHEMBL7145081 0.85 ADAMTS5 (0.61) PTPN1BCL2L2BADBCL2ADAMTS5
SCHEMBL6885210 0.85 PTPN1 (0.61) PTPN1AKR1B1MMP3MMP13BCL2L2
SCHEMBL29408609 0.84 MAPT (0.69) PTPN1BCL2L2BADBCL2MAPT
SCHEMBL19736247 0.84 MAPT (0.69) PTPN1BCL2L2BADBCL2MAPT
SCHEMBL25997992 0.80 MAPT (0.67) BCL2L2BADBCL2MAPTCRHBP
SCHEMBL1060503 0.80 AKR1B1 (1.00) PTPN1AKR1B1MMP3MMP13ADAMTS5
SCHEMBL17319262 0.80 AKR1B1 (1.00) PTPN1AKR1B1MMP3MMP13ADAMTS5
SCHEMBL19736228 0.80 AKR1B1 (1.00) PTPN1AKR1B1MMP3MMP13ADAMTS5
SCHEMBL29408635 0.79 PTPN1 (0.64) PTPN1BCL2L2BCL2MAPTMEN1

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 2479/4885AKR1B1 417/4885MMP3 3403/4885

“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.