Sugi Predict

Sugi Predict / Compounds / SCHEMBL29967414

SCHEMBL29967414

SCHEMBL29967414

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(C)C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 8/20 0.63
▸ TFPI P10646 1/20 0.63
▸ GLP1R P43220 5/20 0.61
▸ CCKBR P32239 1/20 0.61
▸ VIPR1 P32241 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.58
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ BCL2L1 Q07817 1/20 0.57
▸ BAD Q92934 1/20 0.57

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
SCHEMBL29836425 0.93 TFPI (0.66) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL29836281 0.93 TFPI (0.66) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL31183000 0.92 PTH1R (0.63) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL31182635 0.92 GLP1R (0.64) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL29836361 0.92 TFPI (0.69) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL30168739 0.91 TFPI (0.66) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL30168696 0.91 TFPI (0.66) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL31211771 0.91 VIPR1 (0.63) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL29949449 0.90 VIPR1 (0.65) PTH1RTFPIGLP1RCCKBRVIPR1
SCHEMBL31182762 0.90 VIPR1 (0.62) PTH1RTFPIGLP1RCCKBRVIPR1

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-12479873-B2 Metal complexes UDC Ireland (IE) 2025-11-25 — — US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 — — US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 — — US disclosed
US-11404649-B2 Electroluminescent bridged metal complexes for use in electronic devices MERCK PATENT GMBH (DE) 2022-08-02 — — 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 (4 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-12479873-B2 Metal complexes AP1M1, SOD1, AP3M1 PTH1R 4405/4885TFPI 2275/4885GLP1R 4876/4885
US-11404649-B2 Electroluminescent bridged metal complexes for use in electronic devices MCOLN2, MCOLN1, NCLN PTH1R 3899/4885TFPI 3065/4885GLP1R 4693/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 PTH1R 4405/4885TFPI 2275/4885GLP1R 4876/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 PTH1R 4405/4885TFPI 2275/4885GLP1R 4876/4885

“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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