SCHEMBL22017159

SCHEMBL22017159

O=C(O)c1c(F)cc(NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.59
IL1RN P18510 1/20 0.55
KEAP1 Q14145 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
CYTH2 Q99418 1/20 0.54
MEN1 O00255 2/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
PTK2B Q14289 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AVPR2 P30518 1/20 0.48

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
SCHEMBL15359860 0.86 ALDH1A1 (0.46) FFAR4MEN1PKMKMT2AALDH1A1
SCHEMBL16529268 0.86 ITGA1 (0.52) FFAR4GPR27
SCHEMBL16528531 0.86 ITGA1 (0.52) FFAR4METAP2GPR27
SCHEMBL24312124 0.85 FFAR4 (0.54) FFAR4IL1RNKEAP1ERAP1CYTH2
SCHEMBL16469709 0.84 HDAC3 (0.49) FFAR4HDAC1HDAC8
SCHEMBL16470046 0.83 MAPT (0.61) FFAR4MEN1PKMKMT2AALDH1A1
SCHEMBL16469912 0.82 CYP3A4 (0.51) FFAR4
SCHEMBL16470029 0.82 CYP3A4 (0.49) MEN1PKMKMT2AALDH1A1SMN1; SMN2
SCHEMBL16469759 0.80 CYP3A4 (0.53)
SCHEMBL15359861 0.80 WDR5 (0.45) MEN1KMT2AALDH1A1LMNA

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (4 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 FFAR4 2876/4885IL1RN 371/4885KEAP1 325/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 FFAR4 2876/4885IL1RN 371/4885KEAP1 325/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B FFAR4 1263/4885IL1RN 161/4885KEAP1 3397/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 FFAR4 2876/4885IL1RN 371/4885KEAP1 325/4885

“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.