SCHEMBL4190039

SCHEMBL4190039

CCCCSCC(=O)c1cc2sc(=O)n(C)c2cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
ALOX15 P16050 1/20 0.35
THRB P10828 6/20 0.35
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL4188299 0.82 MAPT (0.40) MAPTALOX15THRBCNR2
SCHEMBL4196822 0.77 CMA1 (0.36) MAPTTP53ALOX15THRB
SCHEMBL13854247 0.75 THRB (0.36) MAPTTP53ALOX15THRB
SCHEMBL13854249 0.73 THRB (0.34) MAPTALOX15THRB
SCHEMBL4197956 0.72 THRB (0.36) MAPTTP53ALOX15THRB
SCHEMBL13854243 0.71 THRB (0.36) MAPTTP53ALOX15THRB
SCHEMBL13854244 0.69 THRB (0.33) MAPTALOX15THRB
SCHEMBL14498106 0.67 THRB (0.33) MAPTTP53ALOX15THRB
SCHEMBL4202518 0.67 SMYD3 (0.44) THRB
SCHEMBL13854237 0.67 THRB (0.35) THRB

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-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

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 MAPT 4279/4885TP53 2984/4885SIGMAR1 3403/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF MAPT 4512/4885TP53 2550/4885SIGMAR1 1484/4885

“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.