Sugi Predict

Sugi Predict / Compounds / SCHEMBL2979217

SCHEMBL2979217

SCHEMBL2979217

Cc1cccc2[nH]cc(C(=O)Nc3ccc(N4CCC(F)(F)C4)cc3C(F)(F)F)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.42
▸ WDR5 P61964 8/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL2980090 0.94 CFTR (0.43) CFTRWDR5ADORA3ADRB3TBXA2R
SCHEMBL2965408 0.85 CFTR (0.43) CFTRWDR5FLT3
SCHEMBL2971506 0.85 CFTR (0.43) CFTRWDR5FLT3
SCHEMBL2965409 0.85 CFTR (0.43) CFTRWDR5FLT3
SCHEMBL2974445 0.84 CFTR (0.41) CFTRWDR5ADORA3ADRB3TBXA2R
SCHEMBL2974439 0.84 CFTR (0.41) CFTRWDR5ADORA3ADRB3TBXA2R
SCHEMBL11983680 0.84 CFTR (0.45) CFTRWDR5ADORA3ADRB3TBXA2R
SCHEMBL2972783 0.84 CFTR (0.42) CFTRWDR5
SCHEMBL2970995 0.84 CFTR (0.42) CFTRWDR5
SCHEMBL2817064 0.83 CSNK2A1 (0.41) CFTRWDR5FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 — — US claimed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 — — US claimed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 — — US claimed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 — — US claimed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US claimed

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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885WDR5 3635/4885ADORA3 284/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885WDR5 3635/4885ADORA3 284/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885WDR5 3635/4885ADORA3 284/4885

“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.