SCHEMBL16307403

SCHEMBL16307403

CC1(F)Oc2ccc(S(=O)(=O)Cl)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
CNR1 P21554 1/20 0.34
BRPF1 P55201 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL3534174 0.86 KIF11 (0.45) KIF11CNR1ALDH1A1HSD17B10TDP1
SCHEMBL21807839 0.86 KIF11 (0.45) KIF11CNR1ALDH1A1HSD17B10TDP1
SCHEMBL4462423 0.73 CNR1 (0.60) CNR1ALDH1A1HSD17B10TDP1
SCHEMBL31248489 0.71 ALDH1A1 (0.34) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL11817100 0.71 CNR1 (0.33) CNR1KCNE1KCNQ1
SCHEMBL4611622 0.71 PKM (0.41) ALDH1A1
SCHEMBL23536157 0.70 OGA (0.41) ALDH1A1
SCHEMBL10686126 0.70 HIF1A (0.45) BRPF1ALDH1A1
SCHEMBL2666085 0.70 TSHR (0.37) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL7835766 0.69 HIF1A (0.49) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771327-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-09-26 US disclosed
US-20140371263-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 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 (1 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-20140371263-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, ABCB11 KIF11 3723/4885CNR1 1242/4885BRPF1 2168/4885

“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.