SCHEMBL20159334

SCHEMBL20159334

C#CCSc1nnc(-c2ccco2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
CYP1A2 P05177 1/20 0.58
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 4/20 0.36
POLB P06746 4/20 0.36
NPC1 O15118 3/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
MAPT P10636 3/20 0.35
BLM P54132 2/20 0.35
ALOX5 P09917 1/20 0.33

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
SCHEMBL16896272 0.78 POLB (0.45) HPGDCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL25138717 0.75 ALDH1A1 (0.46) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL13831426 0.70 MAPT (0.60) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL6410649 0.68 ALPG (0.66) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL13096451 0.67 MAPT (0.66) HPGDCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL4336235 0.67 POLB (0.44) HPGDCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL17833425 0.67 ALDH1A1 (0.50) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL5635165 0.66 POLB (0.47) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL12023989 0.66 KDM4E (0.49) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL6277613 0.66 HPGD (0.43) HPGDALDH1A1MEN1KMT2ARAB9A

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-11053175-B2 Thioether compounds as nitrification inhibitors BASF SE (DE) 2021-07-06 US disclosed
US-20180134633-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2018-05-17 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-11053175-B2 Thioether compounds as nitrification inhibitors TST, NOS1, NAT1 HPGD 682/4885CYP1A2 23/4885ALDH1A1 838/4885
US-20180134633-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS TST, NOS1, NAT1 HPGD 682/4885CYP1A2 23/4885ALDH1A1 838/4885

“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.