SCHEMBL6885986

SCHEMBL6885986

CCOc1ccc(C=CC=C2SC(=S)N(CC(=O)O)C2=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.64
PTPN1 P18031 1/20 0.63
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
MAPT P10636 3/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 1/20 0.61
PDE4B Q07343 1/20 0.57
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.56
RECQL P46063 1/20 0.56
DUSP3 P51452 1/20 0.55
BLM P54132 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GFER P55789 2/20 0.55
CASP6 P55212 1/20 0.55
ADAMTS5 Q9UNA0 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
SCHEMBL6884509 0.90 FABP4 (0.65) AKR1B1PTPN1MEN1KMT2AMAPT
Piperidine SCHEMBL9331016 0.82 PDE4B (0.55) AKR1B1PTPN1MEN1KMT2AMAPT
SCHEMBL10492234 0.81 AKR1B1 (0.85) AKR1B1PTPN1MEN1KMT2ANPC1
SCHEMBL10492241 0.81 AKR1B1 (0.85) AKR1B1PTPN1MEN1KMT2ANPC1
SCHEMBL18102986 0.81 AKR1B1 (0.87) AKR1B1PTPN1MEN1KMT2ANPC1
SCHEMBL18102842 0.81 AKR1B1 (0.87) AKR1B1PTPN1MEN1KMT2ANPC1
SCHEMBL6878476 0.80 AKR1B1 (0.68) AKR1B1PTPN1MEN1KMT2AMAPT
SCHEMBL6881094 0.80 CTNNB1 (0.61) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL12008742 0.79 FABP4 (0.80) AKR1B1PTPN1MEN1KMT2AMAPT
SCHEMBL6885662 0.79 AKR1B1 (0.60) AKR1B1PTPN1MEN1KMT2AMAPT

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 AKR1B1 417/4885PTPN1 2479/4885MEN1 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.