SCHEMBL21119405

SCHEMBL21119405

COC(=O)[C@@H]1C[C@@H](N2CCCCC2)CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
HTRA1 Q92743 13/20 0.45
AGTR2 P50052 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
CALCRL Q16602 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL19745089 0.91 CTSS (0.50) CTSSCTSKHTRA1AGTR2
SCHEMBL19745090 0.91 CTSS (0.50) CTSSCTSKHTRA1AGTR2
SCHEMBL21506053 0.86 CTSS (0.50) CTSSCTSKHTRA1AAK1HDAC4
SCHEMBL21536111 0.83 CTSK (0.53) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL28286258 0.83 CTSK (0.53) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL21119332 0.81 HTRA1 (0.56) HTRA1
SCHEMBL29398426 0.81 MMP2 (0.53) CTSSCTSKHTRA1AAK1HDAC4
SCHEMBL29458800 0.81 MMP2 (0.53) CTSSCTSKHTRA1AAK1HDAC4
SCHEMBL21119318 0.81 MMP2 (0.53) CTSSCTSKHTRA1AAK1HDAC4
SCHEMBL28979548 0.81 MMP2 (0.53) CTSSCTSKHTRA1AAK1HDAC4

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-11866422-B2 Carbocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2024-01-09 US disclosed
CN-109563033-B Aliphatic prolinamide derivatives 奥瑞恩眼科有限责任公司 2023-04-04 CN disclosed
US-11267803-B2 Carbocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2022-03-08 US disclosed
EP-3472130-B1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2022-02-16 EP disclosed
EP-3472130-B1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2022-02-16 EP disclosed
US-20210347762-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2021-11-11 US disclosed
US-11091465-B2 2021-08-17 US disclosed
US-20200385362-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2020-12-10 US disclosed
US-10730832-B2 Aliphatic prolinamide derivatives Orion Ophthalmology LLC (US) 2020-08-04 US disclosed
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-10-31 US disclosed
US-20190202810-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-07-04 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 (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-20190202810-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ADCYAP1R1, HTRA2 CTSS 402/4885CTSK 983/4885HTRA1 1/4885
US-10730832-B2 Aliphatic prolinamide derivatives HTRA1, ALDH1A2, PREP CTSS 746/4885CTSK 1449/4885HTRA1 1/4885
US-11267803-B2 Carbocyclic prolinamide derivatives HTRA1, ADCYAP1R1, HTRA2 CTSS 402/4885CTSK 983/4885HTRA1 1/4885
US-20200385362-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ADCYAP1R1, HTRA2 CTSS 402/4885CTSK 983/4885HTRA1 1/4885
US-11866422-B2 Carbocyclic prolinamide derivatives HTRA1, ADCYAP1R1, HTRA2 CTSS 402/4885CTSK 983/4885HTRA1 1/4885
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES HTRA1, ALDH1A2, PREP CTSS 746/4885CTSK 1449/4885HTRA1 1/4885
US-11091465-B2 HTRA1, ALDH1A2, ADCYAP1R1 CTSS 341/4885CTSK 823/4885HTRA1 1/4885
US-20210347762-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ADCYAP1R1, HTRA2 CTSS 402/4885CTSK 983/4885HTRA1 1/4885

“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.