Sugi Predict

Sugi Predict / Compounds / SCHEMBL16211167

SCHEMBL16211167

SCHEMBL16211167

Cc1cnc(CNS(=O)(=O)c2cccc(C(=O)c3ccccc3C(=O)N3CCC4(CC3)CNC(=N)N4)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL2844715 0.92 RAB9A (0.45) RAB9APKMALDH1A1LMNASMN1; SMN2
SCHEMBL16211169 0.85 PKM (0.46) RAB9APKMALDH1A1LMNASMN1; SMN2
SCHEMBL1684932 0.82 PKM (0.33) RAB9APKMALDH1A1LMNASMN1; SMN2
SCHEMBL15658354 0.81 RAB9A (0.38) RAB9APKMALDH1A1LMNASMN1; SMN2
SCHEMBL12003319 0.79 ALDH1A1 (0.36) RAB9APKMALDH1A1LMNASMN1; SMN2
SCHEMBL12003323 0.78 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPK1KMT2A
SCHEMBL12003218 0.77 CYP19A1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL2849895 0.76 PKM (0.53) RAB9APKMALDH1A1LMNASMN1; SMN2
SCHEMBL15656515 0.74 ALDH1A1 (0.36) PKMALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL17574089 0.74 PKM (0.37) RAB9APKMALDH1A1LMNASMN1; SMN2

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-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 — — US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 — — US disclosed
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 — — EP disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 — — 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 (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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 RAB9A 1355/4885PKM 2352/4885ALDH1A1 2535/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 RAB9A 1355/4885PKM 2352/4885ALDH1A1 2535/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 RAB9A 1355/4885PKM 2352/4885ALDH1A1 2535/4885

“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.