Sugi Predict

Sugi Predict / Compounds / SCHEMBL2976337

SCHEMBL2976337

SCHEMBL2976337

CC1(c2cc(F)c(NC(=O)c3c[nH]c4cccc(C(F)(F)F)c4c3=O)cc2O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 7/20 0.50
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ WDR5 P61964 9/20 0.35
▸ PTGES O14684 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL2220888 0.91 CFTR (0.49) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2978689 0.89 CFTR (0.48) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL398234 0.84 CFTR (0.65) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2217020 0.80 CFTR (0.52) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2054385 0.79 CFTR (0.51) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2978500 0.79 CFTR (0.51) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2979708 0.79 CFTR (0.49) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2839193 0.78 CFTR (0.49) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2970146 0.77 CFTR (0.74) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2833157 0.76 CFTR (0.45) CFTRADORA3ADRB3TBXA2RSLC6A2

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 6 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
WO-2011072241-A9 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — WO 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 1/4885ADORA3 284/4885ADRB3 290/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885ADORA3 284/4885ADRB3 290/4885

“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.