SCHEMBL2563889

SCHEMBL2563889

COC(=O)CCc1ccc(/C(Nc2ccc(CN(C)C)cc2)=C2/C(=O)Nc3cc(C(=O)OC)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
EPHX2 P34913 1/20 0.36
CHEK1 O14757 2/20 0.36
ROCK2 O75116 4/20 0.35
BACE1 P56817 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 2/20 0.34
PTPN1 P18031 1/20 0.34
CYP2C19 P33261 1/20 0.33
LSS P48449 1/20 0.33
POLB P06746 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL2563891 1.00 CASP1 (0.38) CASP1KMT2ACTDSP1EPHX2CHEK1
SCHEMBL2572022 0.93 CASP1 (0.38) CASP1KMT2ACTDSP1ROCK2BACE1
SCHEMBL2572025 0.93 CASP1 (0.38) CASP1KMT2ACTDSP1ROCK2BACE1
SCHEMBL226155 0.91 IDO1 (0.39) CASP1EPHX2CHEK1ROCK2BACE1
SCHEMBL226154 0.91 IDO1 (0.39) CASP1EPHX2CHEK1ROCK2BACE1
SCHEMBL228288 0.90 LSS (0.41) EPHX2CHEK1ROCK2CYP3A4LSS
SCHEMBL228289 0.90 LSS (0.41) EPHX2CHEK1ROCK2CYP3A4LSS
SCHEMBL227987 0.90 BACE1 (0.40) KMT2AEPHX2CHEK1ROCK2BACE1
SCHEMBL227988 0.90 BACE1 (0.40) KMT2AEPHX2CHEK1ROCK2BACE1
SCHEMBL436224 0.89 ROCK2 (0.41) CASP1KMT2ACTDSP1ROCK2BACE1

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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
EP-3643309-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2020-04-29 EP disclosed
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES BOEHRINGER INGELHEIM INT (DE) 2019-02-07 US disclosed
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
EP-2878297-A1 Medicaments for the treatment or prevention of fibrotic diseases Boehringer Ingelheim International GmbH (DE) 2015-06-03 EP disclosed
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
EP-2384751-A1 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-09 EP disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 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 (8 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-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CASP1 1480/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 CASP1 1480/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CASP1 1480/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CASP1 1480/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 CASP1 1997/4885KMT2A 4493/4885CTDSP1 3801/4885
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases MMP1, COL1A1, FOXM1 CASP1 1480/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CASP1 1480/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 CASP1 914/4885KMT2A 3979/4885CTDSP1 4128/4885

“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.