SCHEMBL22016896

SCHEMBL22016896

CC(C)N[C@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.47
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
PRCP P42785 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL14268037 1.00 CTSL (0.47) CTSLCTSSCTSKCTSBTDP1
SCHEMBL22016792 1.00 CTSL (0.47) CTSLCTSSCTSKCTSBTDP1
SCHEMBL2397321 0.86 CTSL (0.44) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL8869767 0.85 SIGMAR1 (0.48) CTSLCTSSCTSKSIGMAR1CHRM2
SCHEMBL1456364 0.85 SIGMAR1 (0.48) CTSLCTSSCTSKSIGMAR1CHRM2
SCHEMBL22038877 0.83 SIGMAR1 (0.53) CTSLCTSSCTSKSIGMAR1ADRA2B
SCHEMBL12797626 0.82 OPRK1 (0.45) CTSLCTSSCTSKTDP1CHRM2
SCHEMBL1421212 0.82 OPRK1 (0.45) CTSLCTSSCTSKTDP1CHRM2
SCHEMBL22017352 0.81 PDE2A (0.46) ALDH1A1
SCHEMBL22017080 0.81 PDE2A (0.46) ALDH1A1

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 7 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 CTSL 2027/4885CTSS 2859/4885CTSK 2184/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CTSL 2816/4885CTSS 3204/4885CTSK 2608/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CTSL 933/4885CTSS 1062/4885CTSK 987/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CTSL 933/4885CTSS 1062/4885CTSK 987/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CTSL 2199/4885CTSS 2419/4885CTSK 2305/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CTSL 2027/4885CTSS 2859/4885CTSK 2184/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CTSL 933/4885CTSS 1062/4885CTSK 987/4885

“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.