SCHEMBL20998345

SCHEMBL20998345

CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 0.40
POLB P06746 1/20 0.39
SCN9A Q15858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
TGFBR1 P36897 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL18308905 0.83 TRPV3 (0.47) EPAS1POLBALDH1A1TRPV3LMNA
SCHEMBL17031833 0.81 MEN1 (0.43) EPAS1POLBALDH1A1TRPV3LMNA
SCHEMBL6869892 0.69 EPAS1 (0.54) EPAS1ALDH1A1ESPL1
SCHEMBL18307727 0.68 SDHB (0.39) SMN1; SMN2NR1H2
SCHEMBL17033097 0.68 POLB (0.45) EPAS1POLBALDH1A1TRPV3LMNA
SCHEMBL17040433 0.68 LMNA (0.42) EPAS1POLBALDH1A1TRPV3LMNA
SCHEMBL29602415 0.67 EPAS1 (0.59) EPAS1ALDH1A1NR1H2NR1H3
SCHEMBL28304035 0.67 EPAS1 (0.59) EPAS1ALDH1A1NR1H2NR1H3
SCHEMBL17031824 0.67 USP28 (0.42) ALDH1A1LMNANR1H2NR1H3
SCHEMBL28069902 0.66 EPAS1 (0.56) EPAS1ALDH1A1ESPL1

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-10689409-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-16 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-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 EPAS1 1637/4885POLB 4098/4885SCN9A 2611/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 EPAS1 1637/4885POLB 4098/4885SCN9A 2611/4885

“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.