SCHEMBL5143014

SCHEMBL5143014

CCOC(=O)Cn1ccc2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.55
▸ MCL1 Q07820 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 4/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK8 P45983 1/20 0.42

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
SCHEMBL29958540 1.00 KMO (0.55) KMOMCL1TDP1LMNAL3MBTL1
SCHEMBL30711650 0.95 KMO (0.56) KMOMCL1TDP1LMNAL3MBTL1
SCHEMBL29174301 0.95 KMO (0.56) KMOMCL1TDP1LMNAL3MBTL1
SCHEMBL20037218 0.89 TDP1 (0.53) TDP1LMNAL3MBTL1HTTUSP2
SCHEMBL3871316 0.84 MCL1 (0.47) MCL1LMNAL3MBTL1ALDH1A1HSD17B10
SCHEMBL29174300 0.84 KMO (0.44) KMOMCL1TDP1LMNAL3MBTL1
SCHEMBL2873285 0.83 MCL1 (0.43) MCL1LMNAL3MBTL1ALDH1A1CYP1A2
SCHEMBL10203771 0.81 KMO (0.58) KMOMCL1ALDH1A1HSD17B10NPY5R
SCHEMBL31306259 0.80 TNF (0.51) TDP1LMNAHTTUSP2ALDH1A1
SCHEMBL3864912 0.80 KMT2A (0.61) LMNAL3MBTL1ALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 — — US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 — — CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 — — WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 — — EP disclosed
EP-1663113-A4 SUBSTITUTED SULFONAMIDES MERCK & CO INC (US) 2007-06-13 — — EP disclosed
US-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 — — US disclosed
CN-1956949-A Substituted sulfonamides MERCK & CO INC (US) 2007-05-02 — — CN disclosed
EP-1663113-A2 SUBSTITUTED SULFONAMIDES Merck & Co., Inc. (US) 2006-06-07 — — EP disclosed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 — — 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 (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-20070105914-A1 Substituted sulfonamides CNR2, CNR1, FAAH KMO 1562/4885MCL1 691/4885TDP1 3582/4885
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KMO 204/4885MCL1 4438/4885TDP1 3826/4885

“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.

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