SCHEMBL18702153

SCHEMBL18702153

CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.71
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.65
USP2 O75604 1/20 0.62
MAPK1 P28482 3/20 0.61
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL18711636 0.88 TP53 (0.73) TP53KMT2AALDH1A1LMNAMEN1
SCHEMBL6985771 0.78 KMT2A (0.79) TP53KMT2AALDH1A1LMNAMEN1
SCHEMBL18701946 0.77 L3MBTL1 (0.62) KMT2AALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL2954365 0.77 SMN1; SMN2 (0.80) TP53KMT2AALDH1A1LMNAMEN1
SCHEMBL18701981 0.74 CNR1 (0.53) KMT2AALDH1A1LMNAMEN1
SCHEMBL18701958 0.74 EPHX2 (0.49) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL195773 0.74 KMT2A (0.67) TP53KMT2AALDH1A1LMNAMEN1
SCHEMBL18702155 0.74 CNR1 (0.62) TP53KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL18702176 0.73 PKM (0.58) KMT2AALDH1A1MEN1SMN1; SMN2MAPK1
SCHEMBL15101872 0.72 CHRM1 (0.85) KMT2AALDH1A1LMNAMEN1CYP1A2

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR TP53 4530/4885KMT2A 2884/4885ALDH1A1 374/4885

“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.