SCHEMBL6884043

SCHEMBL6884043

Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
SARM1 Q6SZW1 1/20 0.63
BRS3 P32247 1/20 0.57
AR P10275 2/20 0.48
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.45
WDR5 P61964 1/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6443815 0.92 RAB9A (0.59) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL10578851 0.86 BRS3 (0.74) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL8126566 0.84 BRS3 (0.58) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL30053816 0.82 RAB9A (1.00) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL106519 0.82 RAB9A (1.00) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL929012 0.82 BRS3 (0.55) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL8502565 0.82 BRS3 (0.57) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL14223570 0.82 BRS3 (0.55) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL9527448 0.81 BRS3 (0.68) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL1680900 0.81 RAB9A (0.98) RAB9ANPC1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4628098-A Including Prevacid (TM) lansoprazole, 2-(3-methyl-4-(2,2,2-trifluoroethoxy)-5-methyl-pyrid-2 -yl)methylsulfinylbenzimidazole; proton pump inhibitors, antiulcer, antisecretory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-12-09 US claimed
US-10787651-B2 Bradyrhizobium monooxygenase and use thereof for preparation of chiral sulfoxide JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2020-09-29 US disclosed
US-20200140830-A1 BRADYRHIZOBIUM MONOOXYGENASE AND USE THEREOF FOR PREPARATION OF CHIRAL SULFOXIDE JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2020-05-07 US disclosed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 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-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 RAB9A 2407/4885NPC1 646/4885CYP1A2 230/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 RAB9A 561/4885NPC1 1315/4885CYP1A2 2194/4885

“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.