SCHEMBL20325460

SCHEMBL20325460

O=S(=O)(Cl)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.55
PARP15 Q460N3 5/20 0.55
MMP3 P08254 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
GRM2 Q14416 4/20 0.48
HPGD P15428 2/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL20325660 0.98 PARP15 (0.54) PARP10PARP15MMP3PARP2GRM2
SCHEMBL18088475 0.92 PARP15 (0.51) PARP10PARP15PARP2ALDH1A1LMNA
SCHEMBL3548626 0.92 PARP15 (0.51) PARP10PARP15PARP2ALDH1A1LMNA
SCHEMBL21501125 0.84 NFE2L2 (0.60) GRM2HPGDALDH1A1LMNAGAA
SCHEMBL29660023 0.84 RORC (0.51) PARP10PARP15PARP2GRM2MAOA
SCHEMBL20303849 0.84 PARP15 (0.59) PARP10PARP15MMP3PARP2
SCHEMBL6967590 0.83 NFE2L2 (0.58) GRM2HPGDMAOBALDH1A1LMNA
SCHEMBL21035101 0.82 PARP10 (0.47) PARP10PARP15PARP2GRM2HPGD
SCHEMBL21035567 0.82 PARP15 (0.43) PARP10PARP15MMP3PARP2ALDH1A1
SCHEMBL4186691 0.78 PARP15 (0.58) PARP10PARP15PARP2GRM2HPGD

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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 US disclosed
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed
WO-2018118838-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2018-06-28 WO 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 PARP10 688/4885PARP15 851/4885MMP3 555/4885

“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.