SCHEMBL2977892

SCHEMBL2977892

CC(CO)(CO)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 14/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.51
BACE1 P56817 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL2974623 0.85 CFTR (0.79) CFTR
SCHEMBL2964861 0.80 CFTR (0.58) CFTRKDM4EALDH1A1KMT2A
SCHEMBL2972853 0.80 CFTR (0.79) CFTRKDM4EALDH1A1KMT2A
SCHEMBL2965032 0.79 CFTR (0.76) CFTRKDM4EALDH1A1KMT2A
SCHEMBL2974593 0.79 CFTR (0.76) CFTRKDM4EALDH1A1KMT2A
SCHEMBL395619 0.76 CFTR (0.79) CFTR
SCHEMBL2968088 0.76 KDM4E (0.53) CFTRKDM4EALDH1A1KMT2ABACE1
SCHEMBL2032438 0.76 CFTR (0.61) CFTRKDM4EALDH1A1KMT2AHPGD
SCHEMBL2979836 0.76 CFTR (0.55) CFTRBACE1
SCHEMBL28289143 0.76 KDM4E (0.69) KDM4EALDH1A1KMT2AHPGD

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 4262/4885ALDH1A1 2165/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885KDM4E 4262/4885ALDH1A1 2165/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885KDM4E 4262/4885ALDH1A1 2165/4885

“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.