Treprostinil

Treprostinil

SCHEMBL11953002

CCCCC[C@H](O)CC[C@@H]1C2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGIR

The experimentally established mechanism targets of Treprostinil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGIR known ✓ P43119 12/20 1.00
▸ PTGER2 P43116 3/20 1.00
▸ PTGER1 P34995 3/20 1.00
▸ PTGDR Q13258 2/20 1.00
▸ PTGFR P43088 6/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ PTGER3 P43115 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 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
Treprostinil SCHEMBL11914201 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL4349622 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL9418778 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL14732787 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL4349618 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL24243789 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL4349627 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL22282429 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL21530472 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR
Treprostinil SCHEMBL16342147 1.00 PTGIR (1.00) PTGIRPTGER2PTGER1PTGDRPTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800737-B2 Method for preparing treprostinil and intermediate therefor YONSUNG FINE CHEMICAL CO., LTD. (KR) 2020-10-13 — — US disclosed
WO-2016055819-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2016-04-14 — — WO disclosed
US-20120197041-A1 TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2012-08-02 — — 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 (2 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-10800737-B2 Method for preparing treprostinil and intermediate therefor THPO, PTGFR, CYP51A1 PTGIR 30/4885PTGER2 526/4885PTGER1 118/4885
US-20120197041-A1 TREPROSTINIL PRODUCTION PTGIS, PTGIR, PTGES PTGIR 2/4885PTGER2 18/4885PTGER1 13/4885

“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.

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