SCHEMBL20187245

SCHEMBL20187245

Nc1ccc(CC(NC(=O)CCl)C(=O)NC(Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ GPR34 Q9UPC5 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ MME P08473 10/20 0.47
▸ CPA1 P15085 7/20 0.47
▸ ACE2 Q9BYF1 7/20 0.47
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41

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
SCHEMBL18229007 1.00 ACE (0.52) ACEALDH1A1GPR34CA2MME
SCHEMBL18229004 0.86 GPR34 (0.56) ACEALDH1A1GPR34MMECPA1
SCHEMBL28681245 0.86 GPR34 (0.56) ACEALDH1A1GPR34MMECPA1
SCHEMBL20187246 0.84 CA2 (0.49) ACEALDH1A1GPR34CA2MME
SCHEMBL18228976 0.84 CA2 (0.49) ACEALDH1A1GPR34CA2MME
SCHEMBL18228990 0.83 ACE (0.52) ACEALDH1A1GPR34CA2MME
SCHEMBL18228972 0.83 CTSS (0.50) ACEALDH1A1GPR34CA2MME
SCHEMBL18229003 0.80 MME (0.49) ACEALDH1A1GPR34CA2MME
SCHEMBL20187263 0.79 CTSS (0.66) ACE
SCHEMBL18228975 0.79 CTSS (0.66) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACE 1077/4885ALDH1A1 1092/4885GPR34 3963/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH ACE 1077/4885ALDH1A1 1092/4885GPR34 3963/4885

“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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