SCHEMBL1070028

SCHEMBL1070028

N[C@@H](Cc1ccc(N(CCO)CCO)cc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.75
▸ CYP3A4 P08684 3/20 0.75
▸ ALOX15 P16050 3/20 0.75
▸ PTGS1 P23219 3/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ KDM4E B2RXH2 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ CHRM2 P08172 1/20 0.75
▸ ADRA2A P08913 1/20 0.75
▸ CHRM1 P11229 1/20 0.75
▸ ACHE P22303 1/20 0.75
▸ OPRM1 P35372 1/20 0.75
▸ DRD3 P35462 1/20 0.75
▸ SLC6A3 Q01959 1/20 0.75
▸ KCNH2 Q12809 1/20 0.75
▸ CYP1A2 P05177 1/20 0.75
▸ NFKB1 P19838 1/20 0.75

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
SCHEMBL5025012 1.00 HIF1A (0.75) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL5024973 0.93 HIF1A (0.89) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL14956630 0.93 HIF1A (0.89) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL13696625 0.87 CYP3A4 (0.57) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL18645038 0.86 HIF1A (0.73) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Melphalan SCHEMBL5872 0.86 HIF1A (1.00) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Sarcolysin SCHEMBL414671 0.86 HIF1A (1.00) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Melphalan SCHEMBL5325132 0.86 HIF1A (1.00) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
(R)-Melphalan SCHEMBL5873 0.86 HIF1A (1.00) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Melphalan SCHEMBL563239 0.86 HIF1A (1.00) HIF1ACYP3A4ALOX15PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575385-B2 Process of making optically pure melphalan NAVINTA LLC (US) 2013-11-05 — — US claimed
EP-2268827-B1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2013-10-09 — — EP claimed
EP-2268827-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN Navinta, llc. (US) 2011-01-05 — — EP claimed
WO-2009117164-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2009-09-24 — — WO claimed
US-20090240074-A1 Process Of Making Optically Pure Melphalan PROVIDENT BANK 2009-09-24 — — US claimed
US-10682326-B1 Stable melphalan liquid injectable formulations SHILPA MEDICARE LIMITED 2020-06-16 — — US disclosed
EP-2970102-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF MELPHALAN AND THE HYDROCHLORIDE SALT BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2019-05-08 — — EP disclosed
US-20180237377-A1 Process for the Synthesis of Melphalan and the Hydrochloride Salt BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2018-08-23 — — US disclosed
US-9963422-B2 Process for the synthesis of melphalan and the hydrochloride salt BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2018-05-08 — — US disclosed
US-20160016889-A1 An Improved Process for the Synthesis of Melphalan and the Hydrochloride Salt BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2016-01-21 — — US disclosed
EP-2970102-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF MELPHALAN AND THE HYDROCHLORIDE SALT Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2016-01-20 — — EP disclosed
WO-2014141294-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF MELPHALAN AND THE HYDROCHLORIDE SALT BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2014-09-18 — — WO disclosed
EP-2599484-A1 INJECTABLE PHARMACEUTICAL FORMULATION OF MELPHALAN Eriochem, S.A. (AR) 2013-06-05 — — EP disclosed
US-20130131174-A1 INJECTABLE PHARMACEUTICAL FORMULATION OF MELPHALAN ERIOCHEM (AR) 2013-05-23 — — US disclosed
EP-2268827-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN Navinta, llc. (US) 2011-01-05 — — EP disclosed
EP-2268827-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN Navinta, llc. (US) 2011-01-05 — — EP disclosed
WO-2009117164-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2009-09-24 — — WO disclosed
WO-2009117164-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2009-09-24 — — WO disclosed
US-20090240074-A1 Process Of Making Optically Pure Melphalan PROVIDENT BANK 2009-09-24 — — US disclosed
US-20090240074-A1 Process Of Making Optically Pure Melphalan PROVIDENT BANK 2009-09-24 — — 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 (4 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-20090240074-A1 Process Of Making Optically Pure Melphalan TYR, PAH, TET2 HIF1A 261/4885CYP3A4 121/4885ALOX15 2166/4885
US-20160016889-A1 An Improved Process for the Synthesis of Melphalan and the Hydrochloride Salt MCL1, DCPS, MEN1 HIF1A 1593/4885CYP3A4 2944/4885ALOX15 4531/4885
US-10682326-B1 Stable melphalan liquid injectable formulations IL2, MGMT, MCL1 HIF1A 1917/4885CYP3A4 4275/4885ALOX15 1060/4885
US-20180237377-A1 Process for the Synthesis of Melphalan and the Hydrochloride Salt MCL1, PTMA, DCPS HIF1A 1191/4885CYP3A4 2499/4885ALOX15 4472/4885

“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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