SCHEMBL2567908

SCHEMBL2567908

COC(=O)CCc1ccc(/C(O)=C2\C(=O)N(C(C)=O)c3cc(C(=O)OC)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
PTPN1 P18031 4/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.37
CYP4A11 Q02928 2/20 0.36
MAPT P10636 1/20 0.35
CYP4F2 P78329 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2567910 1.00 CA1 (0.40) CA1CA2CA4CA9PTPN1
SCHEMBL2572938 0.90 CA1 (0.40) CA1CA2CA4CA9PTPN1
SCHEMBL2572936 0.90 CA1 (0.40) CA1CA2CA4CA9PTPN1
SCHEMBL3532597 0.89 PTPN1 (0.39) PTPN1ALDH1A1CASP3KMT2A
SCHEMBL3524897 0.89 KDM4E (0.40) CA2CA9PTPN1TP53
SCHEMBL3526607 0.89 PTPN1 (0.41) PTPN1ALDH1A1TP53CASP3MAPT
SCHEMBL3524899 0.89 KDM4E (0.40) CA2CA9PTPN1TP53
SCHEMBL3532600 0.89 PTPN1 (0.39) PTPN1ALDH1A1CASP3KMT2A
SCHEMBL3526610 0.89 PTPN1 (0.41) PTPN1ALDH1A1TP53CASP3MAPT
SCHEMBL28959770 0.86 CASP3 (0.44) ALDH1A1HPGDCASP3KMT2A

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 CA1 4633/4885CA2 2177/4885CA4 3373/4885
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 CA1 4633/4885CA2 2177/4885CA4 3373/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CA1 4633/4885CA2 2177/4885CA4 3373/4885
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CA1 4633/4885CA2 2177/4885CA4 3373/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 CA1 4725/4885CA2 2347/4885CA4 3524/4885
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases MMP1, COL1A1, FOXM1 CA1 4633/4885CA2 2177/4885CA4 3373/4885
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 CA1 4633/4885CA2 2177/4885CA4 3373/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 CA1 2824/4885CA2 416/4885CA4 356/4885

“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.