Sugi Predict

Sugi Predict / Compounds / SCHEMBL6833548

SCHEMBL6833548

SCHEMBL6833548

CC(C)(C)OC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.63
▸ CTSS P25774 1/20 0.63
▸ CTSK P43235 1/20 0.63
▸ HDAC3 O15379 5/20 0.62
▸ HDAC4 P56524 5/20 0.62
▸ HDAC1 Q13547 5/20 0.62
▸ HDAC7 Q8WUI4 5/20 0.62
▸ HDAC2 Q92769 5/20 0.62
▸ HDAC10 Q969S8 5/20 0.62
▸ HDAC11 Q96DB2 5/20 0.62
▸ HDAC8 Q9BY41 5/20 0.62
▸ HDAC6 Q9UBN7 5/20 0.62
▸ HDAC9 Q9UKV0 5/20 0.62
▸ HDAC5 Q9UQL6 5/20 0.62
▸ TACR1 P25103 2/20 0.61
▸ MAPT P10636 3/20 0.60
▸ TP53 P04637 1/20 0.60
▸ SSTR3 P32745 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ACE P12821 1/20 0.57

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
SCHEMBL6409052 1.00 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL29401065 1.00 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL3560147 1.00 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL29398124 1.00 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL4667151 0.91 CTSL (0.61) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL6409098 0.90 CTSL (0.62) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL21466531 0.90 CTSL (0.62) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL8592427 0.90 CTSL (0.62) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL23127370 0.89 ACE (0.66) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL21309842 0.89 CTSL (0.61) CTSLCTSSCTSKHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 — — EP disclosed
US-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 — — US disclosed
US-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 — — US disclosed
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2023-01-19 — — US disclosed
EP-3870234-B1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR SA (ES) 2022-12-21 — — EP disclosed
EP-4101855-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2022-12-14 — — EP disclosed
US-20220242883-A1 Antitumoral Compounds PHARMA MAR SA (ES) 2022-08-04 — — US disclosed
US-11339180-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2022-05-24 — — US disclosed
US-11332480-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2022-05-17 — — US disclosed
US-20210246146-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2021-08-12 — — US disclosed
US-20210070775-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2021-03-11 — — US disclosed
US-10538535-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2020-01-21 — — US disclosed
US-10442820-B2 — — 2019-10-15 — — US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 — — EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 — — WO 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 (11 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CTSL 3589/4885CTSS 3443/4885CTSK 1070/4885
US-10538535-B2 Antitumoral compounds TP53, RB1, XPOT CTSL 3453/4885CTSS 4188/4885CTSK 3205/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CTSL 3589/4885CTSS 3443/4885CTSK 1070/4885
US-11332480-B2 Antitumoral compounds TP53, RB1, XPOT CTSL 3453/4885CTSS 4188/4885CTSK 3205/4885
US-20210070775-A1 Antitumoral Compounds TP53, RB1, XPOT CTSL 3453/4885CTSS 4188/4885CTSK 3205/4885
US-10442820-B2 — RPS4X, RPS4Y1, XPOT CTSL 3339/4885CTSS 4130/4885CTSK 3406/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA CTSL 1023/4885CTSS 2958/4885CTSK 2824/4885
US-11713325-B2 Antitumoral compounds TP53, TOP1, MCL1 CTSL 1232/4885CTSS 1944/4885CTSK 871/4885
US-11339180-B2 Antitumoral compounds TP53, TOP1, MCL1 CTSL 1232/4885CTSS 1944/4885CTSK 871/4885
US-20210246146-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 CTSL 1232/4885CTSS 1944/4885CTSK 871/4885
US-20220242883-A1 Antitumoral Compounds TP53, TOP1, MCL1 CTSL 1232/4885CTSS 1944/4885CTSK 871/4885

“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.