Sugi Predict

Sugi Predict / Compounds / SCHEMBL2753918

SCHEMBL2753918

SCHEMBL2753918

CCC(C(=O)Nc1ncc(Cc2ccc(OC)cc2)s1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.58
▸ SIRT2 Q8IXJ6 2/20 0.57
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ FFAR2 O15552 1/20 0.49
▸ SCD O00767 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CFTR P13569 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48

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
SCHEMBL2752595 0.90 POLB (0.57) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL2753915 0.89 SCD (0.54) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL2752605 0.89 CFTR (0.62) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL2753342 0.88 MEN1 (0.69) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL2752620 0.88 MEN1 (0.69) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL18014937 0.88 MEN1 (0.69) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL2754075 0.85 POLB (0.51) ABL1SIRT2MEN1KMT2APOLB
SCHEMBL2754036 0.84 POLB (0.66) ABL1MEN1KMT2APOLBL3MBTL1
SCHEMBL2754052 0.84 CFTR (0.56) SIRT2MEN1KMT2APOLBL3MBTL1
SCHEMBL234152 0.81 CFTR (0.53) SIRT2MEN1KMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 — — US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 — — US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 — — US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 — — US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 — — US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 — — US disclosed
US-8741939-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-8741939-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 — — US disclosed
US-20140072995-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 — — US disclosed
US-20140072995-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 — — US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 — — US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 — — US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 — — US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 — — US disclosed
US-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 — — US disclosed
US-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 — — 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-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 ABL1 3471/4885SIRT2 2637/4885MEN1 4595/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 ABL1 3471/4885SIRT2 2637/4885MEN1 4595/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 ABL1 3499/4885SIRT2 2685/4885MEN1 4604/4885

“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.