SCHEMBL3323893

SCHEMBL3323893

CN(Cc1cccs1)C(=O)C(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.75
HSD11B1 P28845 8/20 0.54
CYP3A4 P08684 3/20 0.52
TRPM8 Q7Z2W7 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPE Q05469 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL3321962 0.87 RIPK1 (0.58) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL17882261 0.86 RIPK1 (1.00) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL3325606 0.83 RIPK1 (0.66) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL21400322 0.81 RIPK1 (0.62) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL3322473 0.81 RIPK1 (0.62) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL6121860 0.80 RIPK1 (0.61) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL6122487 0.79 RIPK1 (0.60) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL12313812 0.78 RIPK1 (0.63) RIPK1HSD11B1CYP3A4TRPM8CYP2D6
SCHEMBL23032138 0.77 TRPM8 (0.56) RIPK1TRPM8POLBNPSR1SMN1; SMN2
SCHEMBL13870657 0.77 RIPK1 (0.57) RIPK1HSD11B1CYP3A4TRPM8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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 (4 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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 RIPK1 3225/4885HSD11B1 751/4885CYP3A4 333/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR RIPK1 3473/4885HSD11B1 1621/4885CYP3A4 2183/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 RIPK1 3901/4885HSD11B1 3/4885CYP3A4 72/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 RIPK1 2438/4885HSD11B1 73/4885CYP3A4 100/4885

“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.