Sugi Predict

Sugi Predict / Compounds / SCHEMBL3064845

SCHEMBL3064845

SCHEMBL3064845

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 19/20 0.67
▸ NPBWR1 P48145 1/20 0.61
▸ NPFFR1 Q9GZQ6 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
SCHEMBL30530898 0.95 KISS1R (0.71) KISS1R
SCHEMBL31141460 0.94 KISS1R (0.72) KISS1R
SCHEMBL15930214 0.92 KISS1R (0.78) KISS1R
SCHEMBL29657318 0.92 KISS1R (0.78) KISS1R
SCHEMBL31141448 0.92 KISS1R (0.69) KISS1RNPBWR1
Kisspeptin-10 SCHEMBL15930211 0.91 KISS1R (0.77) KISS1R
SCHEMBL29379050 0.91 KISS1R (0.77) KISS1R
Kisspeptin-10 SCHEMBL20865531 0.91 KISS1R (0.77) KISS1R
SCHEMBL29872723 0.91 KISS1R (0.71) KISS1RNPBWR1
SCHEMBL30530852 0.91 KISS1R (0.77) KISS1R

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
CN-102333520-B Prophylactic/therapeutic agent for cancer TAKEDA PHARMACEUTICAL 2013-11-06 — — CN disclosed
CN-102333520-A Prophylactic/therapeutic agent for cancer TAKEDA PHARMACEUTICAL 2012-01-25 — — CN disclosed
US-7786083-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 — — 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-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA KISS1R 119/4885NPBWR1 566/4885NPFFR1 362/4885

“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.