SCHEMBL4200312

SCHEMBL4200312

COC(=O)CCSCC(=O)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
P2RY12 Q9H244 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL13854198 0.88 BCL6 (0.42) MAPTBCL6BCORALDH1A1GAA
SCHEMBL4202501 0.84 ALDH1A1 (0.53) MAPTBCL6BCORALDH1A1GAA
SCHEMBL5373119 0.84 MAPT (0.46) MAPTBCL6BCORALDH1A1GAA
SCHEMBL4208102 0.81 MEN1 (0.40) MAPTBCL6BCORALDH1A1GAA
SCHEMBL4195489 0.81 POLB (0.44) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL14498022 0.78 MEN1 (0.38) MAPTBCL6BCORALDH1A1GAA
SCHEMBL4192637 0.77 ALDH1A1 (0.51) MAPTBCL6BCORALDH1A1GAA
SCHEMBL4190166 0.77 MEN1 (0.37) MAPTBCL6BCORALDH1A1GAA
SCHEMBL4198233 0.75 EPHX2 (0.58) SMYD3
SCHEMBL13854221 0.74 MAPT (0.39) MAPTALDH1A1GAASMN1; SMN2MAPK1

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 MAPT 4279/4885BCL6 933/4885BCOR 954/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF MAPT 4512/4885BCL6 4702/4885BCOR 4044/4885

“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.