SCHEMBL10000707

SCHEMBL10000707

CN1CCN(C)CCN(CC(=O)NCCCC[C@H](N)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
OTC P00480 1/20 0.44
FOLH1 Q04609 10/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL25629532 0.93 OTC (0.49) OTCFOLH1SMN1; SMN2ALDH1A1ALB
SCHEMBL10000704 0.93 OTC (0.49) OTCFOLH1SMN1; SMN2ALDH1A1ALB
SCHEMBL9728848 0.92 OTC (0.48) OTCFOLH1SMN1; SMN2ALDH1A1NOD1
SCHEMBL10000705 0.91 SIGMAR1 (0.45) SIGMAR1OTCSMN1; SMN2ALDH1A1
SCHEMBL16089032 0.87 FOLH1 (0.42) SIGMAR1OTCFOLH1SMN1; SMN2TP53
SCHEMBL31429756 0.85 FOLH1 (0.43) SIGMAR1OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL20614501 0.85 FOLH1 (0.43) SIGMAR1OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL27323887 0.85 FOLH1 (0.43) SIGMAR1OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL17246791 0.83 FOLH1 (0.53) FOLH1NOD1ALB
SCHEMBL25629482 0.83 OTC (0.43) OTCFOLH1SMN1; SMN2ALDH1A1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF SNU R&DB FOUNDATION (KR) 2012-02-02 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 (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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF DDC, AAAS, DNPEP SIGMAR1 1198/4885OTC 2095/4885FOLH1 19/4885

“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.