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Sugi Predict / Compounds / SCHEMBL12038596

SCHEMBL12038596

SCHEMBL12038596

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)C(C)NC(=O)[C@H](CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC)N[C@@H](CO)C(=O)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)C(CCC(=O)O)NC(=O)[C@H](CO)NC(=O)C(Cc1ccccc1)NN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.60
▸ TFPI P10646 6/20 0.58
▸ KDM1A O60341 2/20 0.57
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ CALCR P30988 1/20 0.56

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
SCHEMBL12038577 0.94 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL25544142 0.88 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL12038559 0.87 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29263405 0.87 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432199 0.86 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL21462831 0.86 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL21462828 0.86 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL12038635 0.86 KDM1A (0.55) TFPIKDM1ACALCR
SCHEMBL30436596 0.85 MAPK8 (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29903341 0.85 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RTFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783578-B2 Immunosuppression modulating compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-10-10 — — US disclosed
US-20150087581-A1 Immunosuppression Modulating Compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-03-26 — — US disclosed
US-8907053-B2 Immunosuppression modulating compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-12-09 — — US disclosed
US-20110318373-A1 IMMUNOSUPPRESSION MODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2011-12-29 — — 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-20110318373-A1 IMMUNOSUPPRESSION MODULATING COMPOUNDS CD274, PDCD1, PDCD1LG2 NPY2R 3711/4885NPY4R 4103/4885NPY5R 3409/4885
US-20150087581-A1 Immunosuppression Modulating Compounds CD274, PDCD1, PDCD1LG2 NPY2R 3796/4885NPY4R 4170/4885NPY5R 3508/4885

“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.