SCHEMBL22016892

SCHEMBL22016892

CC(C)N[C@H](c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.47
CTSS P25774 10/20 0.44
CTSK P43235 8/20 0.44
CTSB P07858 7/20 0.44
HDAC6 Q9UBN7 2/20 0.37
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL22016893 1.00 CTSL (0.47) CTSLCTSSCTSKCTSBHDAC6
SCHEMBL16105512 1.00 CTSL (0.47) CTSLCTSSCTSKCTSBHDAC6
SCHEMBL22017080 0.83 PDE2A (0.46)
SCHEMBL22017349 0.83 PDE2A (0.46)
SCHEMBL22017352 0.83 PDE2A (0.46)
SCHEMBL22016889 0.82 PRCP (0.45)
SCHEMBL22017093 0.82 PRCP (0.45)
SCHEMBL16121135 0.82 CTSL (0.48) CTSLCTSSCTSKCTSB
SCHEMBL22016223 0.82 PRCP (0.45)
SCHEMBL22031402 0.81 CTSL (0.46) CTSLCTSSCTSKCTSBHTT

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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CTSL 933/4885CTSS 1062/4885CTSK 987/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CTSL 2027/4885CTSS 2859/4885CTSK 2184/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CTSL 933/4885CTSS 1062/4885CTSK 987/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 CTSL 2027/4885CTSS 2859/4885CTSK 2184/4885
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.