SCHEMBL13854237

SCHEMBL13854237

C=C1Cc2cc(C(=O)CSCCCC)c(Cl)cc2N1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.35
SMYD3 Q9H7B4 4/20 0.32
THRA P10827 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL4202518 0.87 SMYD3 (0.44) THRBSMYD3
SCHEMBL18651739 0.87 SMYD3 (0.33) SMYD3
SCHEMBL13854233 0.86 ALDH1A1 (0.37) SMYD3
SCHEMBL13854234 0.84 HSD17B10 (0.34) SMYD3
SCHEMBL13854243 0.82 THRB (0.36) THRBTHRACES1
SCHEMBL13854238 0.79 EPHX2 (0.46) SMYD3CES1
SCHEMBL13854244 0.77 THRB (0.33) THRBCES1
SCHEMBL14498106 0.74 THRB (0.33) THRBCES1
SCHEMBL4197975 0.73 SMYD3 (0.46) SMYD3
SCHEMBL14497591 0.72 EPHX2 (0.36) SMYD3CES1

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-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

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 THRB 3310/4885SMYD3 4031/4885THRA 4159/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF THRB 2300/4885SMYD3 3217/4885THRA 2511/4885

“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.