SCHEMBL22291122

SCHEMBL22291122

CC(C)(C)Oc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC(C)(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 13/20 1.00
MAPT P10636 8/20 0.78
KDM4E B2RXH2 7/20 0.78
ALDH1A1 P00352 6/20 0.78
HPGD P15428 6/20 0.78
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
GAA P10253 2/20 0.78
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
HTT P42858 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
NOX1 Q9Y5S8 1/20 0.57
PPARG P37231 3/20 0.53
NCOA2 Q15596 3/20 0.53
NCOA1 Q15788 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL24344005 0.93 SMPD3 (0.87) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL22291076 0.88 MAPT (0.82) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL22291134 0.88 SMPD3 (1.00) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL22291127 0.85 SMPD3 (1.00) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL22301592 0.85 SMPD3 (1.00) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL22291070 0.82 SMPD3 (1.00) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL12106316 0.80 SMPD3 (1.00) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL21315904 0.79 SMPD3 (0.85) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL30111705 0.78 MAPT (0.74) SMPD3MAPTKDM4EALDH1A1HPGD
SCHEMBL30111647 0.76 MAPT (0.79) SMPD3MAPTKDM4EALDH1A1HPGD

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-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2022-04-21 US disclosed
EP-3917530-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS The Johns Hopkins University (US) 2021-12-08 EP disclosed
WO-2020160148-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2020-08-06 WO disclosed
WO-2020160148-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2020-08-06 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-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS SMPD2, SPTLC2, SGMS2 SMPD3 8/4885MAPT 120/4885KDM4E 1559/4885

“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.