Sugi Predict

Sugi Predict / Compounds / SCHEMBL13684206

SCHEMBL13684206

SCHEMBL13684206

CC(C)CNS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 13/20 0.57
▸ SCN1A P35498 2/20 0.55
▸ SCN2A Q99250 2/20 0.55
▸ SCN3A Q9NY46 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ HTR6 P50406 1/20 0.51
▸ HCRTR1 O43613 1/20 0.50
▸ BRD4 O60885 1/20 0.50

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
SCHEMBL15127594 0.83 SLC6A9 (0.57) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL10985509 0.83 PRKCG (0.68) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL14919840 0.83 SLC6A9 (0.43) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL2878189 0.81 SCN1A (0.59) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL6006634 0.80 CYP3A4 (0.69) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL18612351 0.79 EDNRA (0.59) KDM4ECYP1A2CYP2C19HSD17B10
SCHEMBL14381969 0.79 GBA1 (0.66) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL3680789 0.79 CYP3A4 (0.64) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL8645259 0.79 SCN1A (0.56) SLC6A9SCN1ASCN2ASCN3AKDM4E
SCHEMBL12132457 0.78 KDM4E (0.56) SLC6A9SCN1ASCN2ASCN3AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 — — US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 — — US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 — — US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 — — US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — 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 (3 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 SLC6A9 3985/4885SCN1A 2914/4885SCN2A 2371/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 SLC6A9 1616/4885SCN1A 604/4885SCN2A 942/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 SLC6A9 3484/4885SCN1A 3049/4885SCN2A 3320/4885

“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.