SCHEMBL4196822

SCHEMBL4196822

CCCCSCC(=O)c1cc2sc(=O)[nH]c2cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
THRB P10828 5/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
PGR P06401 1/20 0.32
CES1 P23141 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CES2 O00748 1/20 0.30
ESR1 P03372 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4198726 0.85 PRKAG1 (0.38) CMA1LMNAMAPTPDE3BPDE3A
SCHEMBL4197956 0.82 THRB (0.36) LMNATHRBMAPTALOX15CES1
SCHEMBL4206798 0.80 ESR1 (0.42) LMNAHTTMAPTPDE3BPDE3A
SCHEMBL4190039 0.77 MAPT (0.36) THRBMAPTALOX15TP53
SCHEMBL4188308 0.76 CMA1 (0.44) CMA1LMNAHTTMAPTPDE3B
SCHEMBL4188299 0.72 MAPT (0.40) LMNAHTTTHRBMAPTALOX15
SCHEMBL13854243 0.71 THRB (0.36) THRBMAPTALOX15CES1POLB
SCHEMBL14498106 0.70 THRB (0.33) THRBMAPTALOX15CES1POLB
SCHEMBL4202518 0.70 SMYD3 (0.44) CMA1THRB
SCHEMBL13854244 0.69 THRB (0.33) THRBMAPTALOX15CES1

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
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 CMA1 92/4885LMNA 4039/4885HTT 4648/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF CMA1 96/4885LMNA 1753/4885HTT 4789/4885

“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.