Sugi Predict

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SCHEMBL2979708

SCHEMBL2979708

COc1ccc2[nH]cc(C(=O)Nc3cc(O)c(C4(C)CCCCC4)cc3F)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MTNR1A P48039 5/20 0.42
▸ MTNR1B P49286 5/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ GUSB P08236 2/20 0.41
▸ HTR4 Q13639 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL2217020 0.90 CFTR (0.52) CFTRKDM4EALDH1A1HPGDADORA3
SCHEMBL2054385 0.89 CFTR (0.51) CFTRKDM4EHSD17B10LMNAALDH1A1
SCHEMBL398234 0.87 CFTR (0.65) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2978500 0.83 CFTR (0.51) CFTRKDM4EHSD17B10ALDH1A1NR4A2
SCHEMBL2220888 0.82 CFTR (0.49) CFTRGUSBADORA3ADRB3TBXA2R
SCHEMBL2833157 0.82 CFTR (0.45) CFTRALDH1A1HPGDADORA3ADRB3
SCHEMBL2839193 0.82 CFTR (0.49) CFTRKDM4ELMNAALDH1A1HPGD
SCHEMBL2978689 0.81 CFTR (0.48) CFTRALDH1A1HPGDADORA3ADRB3
SCHEMBL2976337 0.79 CFTR (0.50) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2816361 0.75 CSNK2A1 (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 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 1/4885KDM4E 4262/4885HSD17B10 1468/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885KDM4E 4262/4885HSD17B10 1468/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885KDM4E 4262/4885HSD17B10 1468/4885

“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.