SCHEMBL29640703

SCHEMBL29640703

CCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.61
▸ CXCR4 P61073 10/20 0.59
▸ NTSR2 O95665 1/20 0.57
▸ NTSR1 P30989 1/20 0.57
▸ SORT1 Q99523 1/20 0.57
▸ MC4R P32245 2/20 0.57
▸ MC5R P33032 2/20 0.57
▸ MC3R P41968 2/20 0.57
▸ MC1R Q01726 2/20 0.57
▸ IL23R Q5VWK5 1/20 0.56
▸ TACR1 P25103 1/20 0.54
▸ CTNNB1 P35222 2/20 0.54
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53

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
Hexanoate SCHEMBL3501383 0.95 CXCR4 (0.60) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL30978822 0.90 CXCR4 (0.60) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL31165857 0.90 NTSR2 (0.57) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL29913515 0.89 CXCR4 (0.62) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL29930247 0.88 CXCR4 (0.56) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL31232547 0.87 C5AR1 (0.62) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL34470399 0.87 NTSR2 (0.66) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL10346020 0.87 CXCR4 (0.63) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL10346018 0.87 CXCR4 (0.63) C5AR1CXCR4NTSR2NTSR1SORT1
SCHEMBL31378995 0.87 C5AR1 (0.63) C5AR1CXCR4NTSR2NTSR1SORT1

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-119119189-A Polypeptides having MMP2 inhibitory effect 大正制药株式会社 2024-12-13 — — CN disclosed
CN-114450294-B Polypeptides having MMP2 inhibitory effect 大正制药株式会社 2024-11-26 — — CN disclosed
US-11471490-B2 T cells surface-loaded with immunostimulatory fusion molecules and uses thereof TORQUE THERAPEUTICS, INC. (US) 2022-10-18 — — US disclosed
CN-114450294-A Polypeptide with MMP2 inhibitory effect 大正制药株式会社 2022-05-06 — — CN 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-11471490-B2 T cells surface-loaded with immunostimulatory fusion molecules and uses thereof CD4, ICOS, IL2 C5AR1 326/4885CXCR4 183/4885NTSR2 878/4885

“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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