SCHEMBL1802007

SCHEMBL1802007

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.61
CTSS P25774 6/20 0.57
CTSL P07711 6/20 0.57
CTSB P07858 2/20 0.57
CASP1 P29466 1/20 0.53
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53

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
SCHEMBL6182119 1.00 CTSK (0.61) CTSKCTSSCTSLCTSBCASP1
SCHEMBL29877959 1.00 CTSK (0.61) CTSKCTSSCTSLCTSBCASP1
SCHEMBL356447 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBCASP1
SCHEMBL14488100 0.87 TACR1 (0.55) CTSKCTSSCTSLCTSBCASP1
SCHEMBL17039822 0.87 TACR1 (0.55) CTSKCTSSCTSLCTSBCASP1
SCHEMBL5689118 0.87 TACR1 (0.55) CTSKCTSSCTSLCTSBCASP1
SCHEMBL11301054 0.87 CASP1 (0.50) CTSKCTSSCTSLCTSBCASP1
SCHEMBL11288027 0.86 CTSK (0.54) CTSKCTSSCTSLCTSBCASP1
SCHEMBL356213 0.86 CTSK (0.54) CTSKCTSSCTSLCTSBCASP1
SCHEMBL45092 0.86 CTSK (0.47) CTSKCTSSCTSLCTSBCASP1

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289660-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS UNITED THERAPEUTICS CORPORATION (US) 2022-09-15 US disclosed
US-11365216-B2 Antiviral immunotropic agent for the treatment of acute respiratory viral infections PVP LABS PTE. LTD. (SG) 2022-06-21 US disclosed
US-20220024845-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS UNITED THERAPEUTICS CORPORATION (US) 2022-01-27 US disclosed
US-10947177-B2 Compounds and methods for delivery of prostacyclin analogs UNITED THERAPEUTICS CORPORATION (US) 2021-03-16 US disclosed
US-20200181057-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS UNITED THERAPEUTICS CORPORATION (US) 2020-06-11 US disclosed
US-20190345091-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS UNITED THERAPEUTICS CORPORATION (US) 2019-11-14 US disclosed
US-20180141891-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS UNITED THERAPEUTICS CORPORATION (US) 2018-05-24 US disclosed
EP-2792353-B1 Polymorph of Treprostinil diethanolamine salt UNITED THERAPEUTICS CORP (US) 2018-02-28 EP disclosed
US-9878972-B2 Compounds and methods for delivery of prostacyclin analogs UNITED THERAPEUTICS CORPORATION (US) 2018-01-30 US disclosed
US-9624156-B2 Compounds and methods for delivery of prostacyclin analogs UNITED THERAPEUTICS CORPORATION (US) 2017-04-18 US disclosed
US-5157041-A Viricides HOFFMANN-LA ROCHE INC. (US) 1992-10-20 US disclosed
US-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 US disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 EP disclosed
US-4517119-A Synthesis of thymosin α1 HOFFMANN-LA ROCHE INC. (US) 1985-05-14 US disclosed
US-4504415-A Synthesis of thymosin α1 and desacetyl thymosin α1 HOFFMAN-LA ROCHE INC. (US) 1985-03-12 US disclosed
EP-0123951-A2 Intermediates for thymosin alpha 1 F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-11-07 EP disclosed
EP-0123950-A2 Intermediates for thymosin alpha 1 and desacetylthymosin alpha 1 F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-11-07 EP disclosed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US disclosed
US-4264590-A DIPEPTIDE OF A HALOALANINE ABBOTT LABORATORIES (US) 1981-04-28 US disclosed
EP-0000063-A1 Dipeptide derivatives of 7-(N-alpha-substituted or non-substituted X-arginyl)-amino-4-methyl-coumarin AJINOMOTO CO., INC. (JP) 1978-12-20 EP 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 (6 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-20220289660-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS PTGIR, PTGIS, PGF CTSK 974/4885CTSS 1278/4885CTSL 1202/4885
US-20220024845-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS PTGIR, PTGIS, PGF CTSK 974/4885CTSS 1278/4885CTSL 1202/4885
US-10947177-B2 Compounds and methods for delivery of prostacyclin analogs PTGIR, PTGIS, PGF CTSK 964/4885CTSS 1139/4885CTSL 1179/4885
US-20190345091-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS PTGIR, PTGIS, PGF CTSK 964/4885CTSS 1139/4885CTSL 1179/4885
US-20180141891-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS PTGIR, PTGIS, PGF CTSK 964/4885CTSS 1139/4885CTSL 1179/4885
US-20200181057-A1 COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS PTGIR, PTGIS, PGF CTSK 964/4885CTSS 1139/4885CTSL 1179/4885

“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.