Sugi Predict

Sugi Predict / Compounds / SCHEMBL1690728

SCHEMBL1690728

SCHEMBL1690728

CC(C)(C)[S+]([O-])NC(c1cnc(NC(=O)O)s1)c1ccc(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 4/20 0.34
▸ CCNE1 P24864 6/20 0.34
▸ CDK2 P24941 6/20 0.34
▸ CDK5 Q00535 6/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ GCK P35557 1/20 0.32

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
SCHEMBL16681690 0.89 LCK (0.35) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL1691316 0.89 LCK (0.35) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL1691012 0.89 LCK (0.35) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL10125058 0.89 LCK (0.35) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL10124744 0.89 LCK (0.35) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL1926160 0.89 LCK (0.35) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL16681698 0.88 CCNE1 (0.41) FFAR2CCNE1CDK2CDK5CCNT1
SCHEMBL12377970 0.87 CCNE1 (0.33) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL12377347 0.87 CCNE1 (0.33) FFAR2CCNE1CDK2CDK5MDM2
SCHEMBL16678081 0.87 FFAR2 (0.38) FFAR2CCNE1CDK2CDK5SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856248-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-02 — — US disclosed
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 — — US disclosed
US-20160237079-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMA (US) 2016-08-18 — — US disclosed
US-9351962-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-31 — — US disclosed
US-20150126566-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2015-05-07 — — US disclosed
US-8962856-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
US-20140121381-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 — — US disclosed
US-8586615-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 — — US disclosed
US-20120010257-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — US disclosed
US-7999113-B2 Such as 1-(benzo[d][1,3]dioxol-6-yl)-n-(5-((2-chlorophenyl)(3-hydroxypyrrolidin-1-yl)methyl)thiazol-2-yl)cyclopropanecarboxamide; genetic disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-16 — — US disclosed
EP-1912983-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2011-06-08 — — EP disclosed
US-20080161371-A1 Modulators of cystic fibrosis transmembrane conductance regulator FIRST-CITIZENS BANK & TRUST COMPANY 2008-07-03 — — US disclosed
EP-1912983-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals, Inc. (US) 2008-04-23 — — EP disclosed
WO-2007021982-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 — — WO 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 (6 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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B FFAR2 411/4885CCNE1 4809/4885CDK2 4554/4885
US-20120010257-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B FFAR2 411/4885CCNE1 4809/4885CDK2 4554/4885
US-20150126566-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B FFAR2 411/4885CCNE1 4809/4885CDK2 4554/4885
US-20140121381-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B FFAR2 411/4885CCNE1 4809/4885CDK2 4554/4885
US-20160237079-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B FFAR2 411/4885CCNE1 4809/4885CDK2 4554/4885
US-20080161371-A1 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B FFAR2 411/4885CCNE1 4809/4885CDK2 4554/4885

“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.