Sugi Predict

Sugi Predict / Compounds / SCHEMBL29774757

SCHEMBL29774757

SCHEMBL29774757

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(C)=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 2/20 0.66
▸ PTH1R Q03431 8/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.64
▸ CXCR4 P61073 2/20 0.64
▸ GLP1R P43220 5/20 0.62
▸ NR3C1 P04150 1/20 0.60
▸ ECE1 P42892 1/20 0.60
▸ MUS81 Q96NY9 1/20 0.60
▸ CCKBR P32239 1/20 0.60

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
SCHEMBL30408986 0.98 PTH1R (0.67) GRPRPTH1RRXFP1CXCR4GLP1R
SCHEMBL30946722 0.93 PTH1R (0.66) GRPRPTH1RRXFP1CXCR4GLP1R
SCHEMBL30008333 0.91 PTH1R (0.66) GRPRPTH1RRXFP1CXCR4GLP1R
SCHEMBL29412274 0.90 GLP1R (0.73) GRPRPTH1RRXFP1GLP1RNR3C1
SCHEMBL30744286 0.88 NR3C1 (0.71) GRPRPTH1RRXFP1GLP1RNR3C1
SCHEMBL29370374 0.87 GLP1R (0.71) PTH1RRXFP1GLP1RNR3C1ECE1
SCHEMBL30148541 0.87 NR3C1 (0.74) PTH1RRXFP1GLP1RNR3C1ECE1
SCHEMBL31140800 0.87 GLP1R (0.70) PTH1RRXFP1GLP1RNR3C1ECE1
SCHEMBL30272003 0.86 RXFP1 (0.71) PTH1RRXFP1GLP1RECE1MUS81
SCHEMBL30446094 0.85 RXFP1 (0.70) PTH1RRXFP1GLP1RECE1MUS81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-07-07 — — US claimed
US-12017392-B2 Overmoulded printed electronic parts and methods for the manufacture thereof NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2024-06-25 — — US disclosed
EP-3689984-B1 MOLECULAR INKS NAT RES COUNCIL CANADA (CA) 2023-06-07 — — EP disclosed
US-11525066-B2 Molecular inks NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2022-12-13 — — US disclosed
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-07-07 — — 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-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 GRPR 500/4885PTH1R 1885/4885RXFP1 970/4885

“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.

Send feedback