SCHEMBL4197975

SCHEMBL4197975

O=C(O)CCSCC(=O)c1cc2c(cc1Cl)NC(=O)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 15/20 0.46
AHR P35869 2/20 0.38
CMA1 P23946 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL13854233 0.87 ALDH1A1 (0.37) SMYD3ALDH1A1TP53MAPTMAPK1
SCHEMBL4199097 0.86 SMYD3 (0.45) SMYD3EPHX2
SCHEMBL4202518 0.86 SMYD3 (0.44) SMYD3AHRCMA1EPHX2
SCHEMBL4195347 0.85 SMYD3 (0.43) SMYD3AHRCMA1EPHX2
SCHEMBL622063 0.79 SMYD3 (0.56) SMYD3AHRCMA1ALDH1A1MAPK1
SCHEMBL31210109 0.79 SMYD3 (0.56) SMYD3AHRCMA1ALDH1A1MAPK1
SCHEMBL13854246 0.79 ALDH1A1 (0.37) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL5792436 0.78 SMYD3 (0.52) SMYD3AHRCMA1
SCHEMBL8232914 0.78 SMYD3 (0.52) SMYD3AHRCMA1
SCHEMBL4218125 0.78 SMYD3 (0.52) SMYD3AHRCMA1

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 5 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

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 SMYD3 4031/4885AHR 2958/4885CMA1 92/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF SMYD3 3217/4885AHR 2285/4885CMA1 96/4885

“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.