SCHEMBL16422014

SCHEMBL16422014

COc1ccc(-c2cc(C)cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 18/20 0.53
▸ PDE4D Q08499 2/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ GPR183 P32249 1/20 0.40
▸ POLQ O75417 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ SCN5A Q14524 1/20 0.39

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
SCHEMBL3802998 0.91 CFTR (0.52) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL3672859 0.90 CFTR (0.55) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL14038146 0.89 CFTR (0.53) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL3803176 0.87 CFTR (0.51) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL3672957 0.86 CFTR (0.57) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL12189097 0.86 CFTR (0.64) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL3671482 0.85 CFTR (0.67) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL16351207 0.85 CFTR (0.57) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL12189333 0.85 CFTR (0.64) CFTRPDE4DNR1I2ADORA3CYP2C8
SCHEMBL3636612 0.85 PIK3CA (0.38) CFTRPDE4DNR1I2ADORA3CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 — — US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 — — US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 — — US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 — — 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 (2 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-20150166516-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CFTR 1/4885PDE4D 431/4885NR1I2 889/4885
US-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CFTR 1/4885PDE4D 431/4885NR1I2 889/4885

“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.

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