SCHEMBL2522092

SCHEMBL2522092

O=Cc1ccc(/C=C2/C=CC(=O)S2)s1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.33
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2522094 1.00 ALDH1A1 (0.33) ALDH1A1DPP4CYP2E1CYP3A4CYP2A6
SCHEMBL2520199 0.80 KMT2A (0.45) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL2519294 0.76 TUBB4A (0.39) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL2520389 0.73 DPP4 (0.54) ALDH1A1DPP4MAPTTHRBHPGD
2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 0.72
SCHEMBL2514798 0.70 KMT2A (0.51) ALDH1A1CYP2C19MAPTHPGDKMT2A
SCHEMBL2514796 0.70 KMT2A (0.51) ALDH1A1CYP2C19MAPTHPGDKMT2A
SCHEMBL2145508 0.67 PIM1 (0.44) ALDH1A1CYP2A6MAPTHPGDKMT2A
SCHEMBL16533088 0.65 ALDH1A1 (0.43) ALDH1A1DPP4CYP2E1CYP3A4CYP2A6
SCHEMBL2145062 0.62

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES UNIVERSITETET I OLSO (NO) 2011-10-13 US disclosed
US-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES UNIVERSITETET I OLSO (NO) 2011-10-13 US disclosed
US-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES UNIVERSITETET I OLSO (NO) 2011-10-13 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 (1 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-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES CBR3, C5, C3AR1 ALDH1A1 2529/4885DPP4 1304/4885CYP2E1 1571/4885

“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.