SCHEMBL17709100

SCHEMBL17709100

COC(=O)[C@H]1C[C@H](NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)c2ccc(OC)cc2O1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.76
GABRA1 P14867 2/20 0.72
TMEM97 Q5BJF2 2/20 0.72
SIGMAR1 Q99720 2/20 0.72

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
SCHEMBL17709102 1.00 CFTR (0.76) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708920 0.93 CFTR (0.79) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17709085 0.93 CFTR (0.79) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708923 0.93 CFTR (0.79) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708694 0.93 CFTR (0.71) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708929 0.93 CFTR (0.71) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708697 0.93 CFTR (0.71) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708704 0.88 CFTR (0.67) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708804 0.88 CFTR (0.67) CFTRGABRA1TMEM97SIGMAR1
SCHEMBL17708702 0.88 CFTR (0.67) CFTRGABRA1TMEM97SIGMAR1

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
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN claimed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US claimed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 US claimed
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 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 (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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CFTR 1/4885GABRA1 3122/4885TMEM97 972/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CFTR 1/4885GABRA1 3122/4885TMEM97 972/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CFTR 1/4885GABRA1 3122/4885TMEM97 972/4885

“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.