SCHEMBL4198233

SCHEMBL4198233

COC(=O)CCSCC(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
SMYD3 Q9H7B4 16/20 0.46
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL13854220 0.87 EPHX2 (0.44) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL13854197 0.85 EPHX2 (0.60) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL4204194 0.83 EPHX2 (0.61) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL14497589 0.81 EPHX2 (0.58) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL4198695 0.80 EPHX2 (0.57) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL4199097 0.80 SMYD3 (0.45) EPHX2SMYD3
SCHEMBL4194804 0.79 EPHX2 (0.53) EPHX2SMYD3HTR1ADRD2HTR2A
SCHEMBL13854221 0.79 MAPT (0.39) EPHX2HDAC6
SCHEMBL29779535 0.76 CRBN (0.58) EPHX2SMYD3
SCHEMBL688478 0.76 CRBN (0.58) EPHX2SMYD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION Universite Paris-Saclay (FR) 2017-03-23 US disclosed
US-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 US disclosed
US-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 US disclosed
US-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 US disclosed
CN-101410107-A MIF inhibitors CORTICAL PTY LTD (AU) 2009-04-15 CN disclosed
WO-2007070961-A1 MIF INHIBITORS CORTICAL PTY LTD (AU) 2007-06-28 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 (2 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-20090130165-A1 MIF Inhibitors MIF, MMP12, IL4 EPHX2 2288/4885SMYD3 4031/4885HTR1A 3948/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF EPHX2 474/4885SMYD3 3217/4885HTR1A 1408/4885

“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.