SCHEMBL15134208

SCHEMBL15134208

CCOC(=O)CN1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.48
ELANE P08246 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.42
HTR2C P28335 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
SCHEMBL28405346 1.00 ACE (0.48) ACEELANENPC1RAB9ASMN1; SMN2
SCHEMBL15123250 0.92 FKBP1A (0.45) ACEELANEPTPN1HTR2C
SCHEMBL15123248 0.92 FKBP1A (0.45) ACEELANEPTPN1HTR2C
SCHEMBL11285685 0.87 ACE (0.51) ACENPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL11196452 0.87 ACE (0.51) ACENPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL15133222 0.86 ELANE (0.42) ELANENPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL4435031 0.83 ACE (0.61) ACENPC1RAB9ASMN1; SMN2
SCHEMBL7270216 0.83 ACE (0.61) ACENPC1RAB9ASMN1; SMN2
SCHEMBL7271391 0.83 ACE (0.57) ACENPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL7271397 0.83 ACE (0.57) ACENPC1RAB9ASMN1; SMN2HTR2C

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-9474779-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-20130190249-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-25 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 (1 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-20130190249-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ACE 2416/4885ELANE 620/4885NPC1 2241/4885

“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.