SCHEMBL13854233

SCHEMBL13854233

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMYD3 Q9H7B4 2/20 0.33
PLA2G4B P0C869 1/20 0.31
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18651739 0.89 SMYD3 (0.33) SMYD3
SCHEMBL4197975 0.87 SMYD3 (0.46) ALDH1A1MAPTHSD17B10TP53MAPK1
SCHEMBL13854234 0.86 HSD17B10 (0.34) MAPTHSD17B10SMYD3TDP1
SCHEMBL13854237 0.86 THRB (0.35) SMYD3
SCHEMBL13854232 0.85 SMYD3 (0.32) SMYD3
SCHEMBL13854246 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10TP53MAPK1
SCHEMBL13854223 0.78 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10TP53MAPK1
SCHEMBL13854248 0.78 ALDH1A1 (0.34) ALDH1A1MAPTHSD17B10TP53MAPK1
SCHEMBL4199097 0.74 SMYD3 (0.45) SMYD3
SCHEMBL4202518 0.73 SMYD3 (0.44) SMYD3

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 ALDH1A1 780/4885MAPT 4279/4885HSD17B10 2179/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF ALDH1A1 435/4885MAPT 4512/4885HSD17B10 1110/4885

“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.