SCHEMBL12038633

SCHEMBL12038633

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)CCCNNC(Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC(CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NC(C=O)CO)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NC(CCC(=O)O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ F2 P00734 2/20 0.44
▸ VIPR1 P32241 2/20 0.44
▸ TFPI P10646 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ VIPR2 P41587 1/20 0.43
▸ GLP1R P43220 2/20 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
SCHEMBL12038534 0.84 KISS1R (0.46) KISS1RTFPIBACE1
SCHEMBL12038559 0.83 NPY2R (0.59) TFPI
SCHEMBL12038572 0.82 NPY2R (0.52) TFPIGLP1R
SCHEMBL12038609 0.81 KISS1R (0.40) KISS1RBACE1
SCHEMBL16589778 0.81 VIPR1 (0.51) VIPR1TFPIVIPR2GLP1R
SCHEMBL12038621 0.81 NPY2R (0.59) TFPI
SCHEMBL12038668 0.80 NPY2R (0.59) TFPI
SCHEMBL29972087 0.80 KISS1R (0.56) KISS1RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25544142 0.79 NPY2R (0.59) TFPI
SCHEMBL15791193 0.77 TFPI (0.56) KISS1RF2VIPR1TFPIVIPR2

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 KISS1R 2026/4885GRIN2D 4109/4885GRIN3B 3129/4885
US-20150087581-A1 Immunosuppression Modulating Compounds CD274, PDCD1, PDCD1LG2 KISS1R 2012/4885GRIN2D 3993/4885GRIN3B 3072/4885

“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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