SCHEMBL18228976

SCHEMBL18228976

O=C(CCl)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.49
▸ ACE P12821 3/20 0.48
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GPR34 Q9UPC5 1/20 0.44
▸ MME P08473 2/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ WDR5 P61964 1/20 0.43

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
SCHEMBL20187246 1.00 CA2 (0.49) CA2ACELMNAL3MBTL1NPC1
SCHEMBL18228991 0.87 MEN1 (0.60) CA2ACELMNAL3MBTL1SMN1; SMN2
SCHEMBL28672517 0.87 MEN1 (0.60) CA2ACELMNAL3MBTL1SMN1; SMN2
SCHEMBL18229063 0.84 CTSL (0.51) CA2ACEL3MBTL1ALDH1A1MME
SCHEMBL18229005 0.84 CA2 (0.49) CA2ACELMNAL3MBTL1NPC1
SCHEMBL18229007 0.84 ACE (0.52) CA2ACEALDH1A1GPR34MME
SCHEMBL20187245 0.84 ACE (0.52) CA2ACEALDH1A1GPR34MME
SCHEMBL31006615 0.83 CA2 (0.52) CA2ACELMNANPC1RAB9A
SCHEMBL20187248 0.82 CTSL (0.51) CA2ACEL3MBTL1MMECPA1
SCHEMBL18229001 0.82 CTSL (0.51) CA2ACEL3MBTL1MMECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107810189-B Process for the preparation of nitrogen mustard derivatives 肿瘤多肽股份公司 2022-02-11 — — CN disclosed
EP-3280721-B1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2020-07-22 — — EP disclosed
US-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 — — US disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 — — US disclosed
EP-3280721-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES Oncopeptides AB (SE) 2018-02-14 — — EP disclosed
WO-2016180740-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2016-11-17 — — WO 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH CA2 300/4885ACE 1077/4885LMNA 2888/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CA2 300/4885ACE 1077/4885LMNA 2888/4885

“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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