SCHEMBL4704028

SCHEMBL4704028

CC(C)(C)OC(=O)N[C@H](CO)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
CTSB P07858 1/20 0.49
AAK1 Q2M2I8 9/20 0.43
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4838542 1.00 CTSS (0.49) CTSSCTSKCTSBAAK1RIPK1
SCHEMBL29676847 1.00 CTSS (0.49) CTSSCTSKCTSBAAK1RIPK1
SCHEMBL4838536 1.00 CTSS (0.49) CTSSCTSKCTSBAAK1RIPK1
SCHEMBL38666123 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL29423245 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL16410211 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL28069901 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL16410292 0.88 CTSS (0.48) CTSSCTSKCTSBAAK1
SCHEMBL22805508 0.87 CTSS (0.50) CTSSCTSKCTSBAAK1
SCHEMBL22690656 0.87 CTSK (0.50) CTSSCTSKCTSBAAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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 (5 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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CTSS 3946/4885CTSK 3049/4885CTSB 4198/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CTSS 3946/4885CTSK 3049/4885CTSB 4198/4885
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C CTSS 2601/4885CTSK 1804/4885CTSB 2256/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CTSS 3952/4885CTSK 3049/4885CTSB 4203/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB CTSS 704/4885CTSK 453/4885CTSB 445/4885

“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.