SCHEMBL19085245

SCHEMBL19085245

COCC1CC2(C1)Oc1ccc(C3(C(=O)OC)CC3)cc1O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 0.38
SIGMAR1 Q99720 3/20 0.34
GABRA1 P14867 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1465732 0.81 MAPT (0.41) CFTRSIGMAR1GABRA1TMEM97
SCHEMBL20424568 0.79 CFTR (0.41) CFTRSIGMAR1GABRA1TMEM97CYP2C9
SCHEMBL16674867 0.77 CFTR (0.40) CFTRSIGMAR1GABRA1TMEM97
SCHEMBL21256244 0.77 CFTR (0.50) CFTRSIGMAR1GABRA1TMEM97NR1I2
SCHEMBL19085937 0.77 CFTR (0.38) CFTRSIGMAR1GABRA1TMEM97NR1I2
SCHEMBL19753172 0.76 CFTR (0.38) CFTRSIGMAR1GABRA1TMEM97NR1I2
SCHEMBL19085860 0.76 MTNR1A (0.47)
SCHEMBL20195043 0.76 CFTR (0.38) CFTRSIGMAR1GABRA1TMEM97NR1I2
SCHEMBL18764225 0.72 ACHE (0.33) CFTR
SCHEMBL20381153 0.72 EPHX2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
US-10239867-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-26 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 US disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 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 (7 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885
US-10239867-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885SIGMAR1 2137/4885GABRA1 730/4885

“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.