Sugi Predict

Sugi Predict / Compounds / SCHEMBL16298564

SCHEMBL16298564

SCHEMBL16298564

CC/N=C(/NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 16/20 0.83
▸ ABCB11 O95342 1/20 0.76
▸ DRD1 P21728 1/20 0.76
▸ OPRM1 P35372 1/20 0.76
▸ MRGPRX2 Q96LB1 1/20 0.76

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
SCHEMBL8261645 1.00 GNRHR (0.83) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL10014440 0.96 GNRHR (0.78) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL10044975 0.96 GNRHR (0.77) GNRHRABCB11DRD1OPRM1MRGPRX2
Ganirelix SCHEMBL13625244 0.96 GNRHR (0.89) GNRHRABCB11DRD1OPRM1MRGPRX2
Ganirelix SCHEMBL13624942 0.96 GNRHR (0.89) GNRHRABCB11DRD1OPRM1MRGPRX2
Ganirelix SCHEMBL29390389 0.96 GNRHR (0.89) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL8261642 0.93 GNRHR (0.78) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL17034758 0.93 GNRHR (0.83) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL10014816 0.91 GNRHR (0.70) GNRHRABCB11DRD1OPRM1MRGPRX2
Ganirelix SCHEMBL20521061 0.91 GNRHR (1.00) GNRHRABCB11DRD1OPRM1MRGPRX2

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-20120039843-A1 CONJUGATES OF A POLYPEPTIDE AND AN OLIGOSACCHARIDE N.V. ORGANON (NL) 2012-02-16 — — 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-20120039843-A1 CONJUGATES OF A POLYPEPTIDE AND AN OLIGOSACCHARIDE SERPINC1, SELP, F13B GNRHR 785/4885ABCB11 665/4885DRD1 3204/4885

“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.