SCHEMBL17474203

SCHEMBL17474203

CCS(=O)(=O)c1cc(C#N)ccc1C(NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.41
▸ CTSK P43235 8/20 0.41
▸ CTSB P07858 3/20 0.40
▸ CTSL P07711 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL15932451 0.90 CTSS (0.40) CTSSCTSKCTSBCTSLABCB1
SCHEMBL28300572 0.88 TBXA2R (0.39) ATMMAPT
SCHEMBL30570497 0.86 CTSS (0.42) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17474200 0.86 CTSS (0.42) CTSSCTSKCTSBCTSLABCB1
SCHEMBL30570520 0.84 TRPV4 (0.40) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17477724 0.84 TRPV4 (0.40) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17476298 0.84 KMT2A (0.40) CTSSCTSKCTSBCTSLABCB1
SCHEMBL17479521 0.80 CTSS (0.38) CTSSCTSKCTSBCTSLABCB1
SCHEMBL15913295 0.77 TBXA2R (0.41) —
SCHEMBL8777246 0.73 CTSK (0.49) CTSSCTSKCTSBCTSLABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539952-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2022-06-22 — — EP disclosed
CN-107253933-B Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity 勃林格殷格翰国际有限公司 2021-10-26 — — CN disclosed
EP-3539952-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2019-09-18 — — EP disclosed
EP-3174861-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2019-05-15 — — EP disclosed
EP-3174861-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2017-06-07 — — EP disclosed
US-9475779-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-25 — — US disclosed
US-9475779-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-25 — — US disclosed
US-9475779-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-25 — — US disclosed
WO-2016016365-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — WO disclosed
US-20160031829-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — US disclosed
US-20160031829-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — US disclosed
US-20160031829-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — 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 (1 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-20160031829-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CTSS 47/4885CTSK 91/4885CTSB 98/4885

“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.

Send feedback