SCHEMBL6882963

SCHEMBL6882963

CCCC(C(C(=O)O)C(=O)O)N1C(=O)/C(=C/c2ccc(C)c3ccccc23)SC1=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.55
MAPT P10636 10/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
POLB P06746 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CTSL P07711 1/20 0.50
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAP3K5 Q99683 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L2 Q92843 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6882967 1.00 PTPN1 (0.55) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6886043 0.84 MEN1 (0.50) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6884952 0.81 MAPT (0.68) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6881148 0.80 MAPT (0.56) MAPTMEN1KMT2APOLBHPGD
SCHEMBL6881144 0.80 MAPT (0.56) MAPTMEN1KMT2APOLBHPGD
SCHEMBL6883748 0.80 MAPT (0.53) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6883752 0.80 MAPT (0.53) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6882971 0.78 PTPN1 (0.49) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6886492 0.78 MAPT (0.56) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL6884791 0.78 MAPT (0.53) PTPN1MAPTMEN1KMT2APOLB

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 2 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

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 3886/4885MEN1 838/4885

“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.