Sugi Predict

Sugi Predict / Compounds / SCHEMBL1856949

SCHEMBL1856949

SCHEMBL1856949

FC(F)(F)c1[c]nn(-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ NOTUM Q6P988 3/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ ALKBH2 Q6NS38 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30

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
SCHEMBL274416 0.71 NOTUM (0.39) GAANOTUMP2RX7L3MBTL1MAOA
SCHEMBL4717229 0.71 GAA (0.47) GAANOTUMP2RX7L3MBTL1MAOA
SCHEMBL3606688 0.65 GAA (0.55) GAAHPGDSALKBH2ALDH1A1TSHR
SCHEMBL10699375 0.63 DGAT1 (0.41) PTGS1ALDH1A1TSHRGRM4MAPT
SCHEMBL6404750 0.63 PTGS1 (0.37) GAANOTUMP2RX7PTGS1ALDH1A1
SCHEMBL25384661 0.62 DGAT1 (0.40) PTGS1ALDH1A1TSHRMAPTPOLB
SCHEMBL23565169 0.62 DGAT1 (0.41) ALDH1A1MAPTPOLBDGAT1NPC1
SCHEMBL23565170 0.62 KDM4E (0.44) ALDH1A1MAPTSMN1; SMN2POLBDGAT1
SCHEMBL8683781 0.62 ALDH1A1 (0.46) GAAL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8612869 0.62 DGAT1 (0.45) PTGS1ALDH1A1TSHRMAPTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 — — US claimed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 — — US claimed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 — — EP claimed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 — — US claimed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 — — WO claimed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 — — US disclosed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 — — US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 — — EP disclosed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 — — US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 — — EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — WO disclosed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 — — EP disclosed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 — — US disclosed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 — — 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 (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-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 365/4885NOTUM 4356/4885P2RX7 247/4885
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GAA 365/4885NOTUM 4356/4885P2RX7 247/4885
US-20050113423-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GAA 365/4885NOTUM 4356/4885P2RX7 247/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA GAA 1760/4885NOTUM 1945/4885P2RX7 700/4885

“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.