SCHEMBL13144634

SCHEMBL13144634

CC(=O)NCCCC(NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC1C(=O)N[C@H](CC1CCCCC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCNC(=N)N

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.60
▸ CXCL8 P10145 6/20 0.55
▸ KISS1R Q969F8 4/20 0.54
▸ IL23R Q5VWK5 2/20 0.53
▸ MC4R P32245 3/20 0.53
▸ MC5R P33032 2/20 0.53
▸ MC3R P41968 2/20 0.53
▸ MC1R Q01726 2/20 0.53
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52

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
SCHEMBL13144891 0.95 KISS1R (0.58) C5AR1CXCL8KISS1RIL23RMC4R
SCHEMBL29853539 0.93 C5AR1 (0.62) C5AR1CXCL8KISS1RIL23RMC4R
SCHEMBL31411096 0.91 C5AR1 (0.60) C5AR1CXCL8KISS1RIL23RMC4R
SCHEMBL29853326 0.89 C5AR1 (0.63) C5AR1KISS1RIL23RMC4RMC5R
SCHEMBL13144378 0.87 IL23R (0.53) C5AR1CXCL8KISS1RIL23RMC4R
SCHEMBL31411094 0.87 C5AR1 (0.63) C5AR1KISS1RIL23RMC4RMC5R
SCHEMBL13739633 0.86 C5AR1 (0.50) C5AR1CXCL8KISS1RIL23RMC4R
SCHEMBL30711762 0.86 C5AR1 (0.55) C5AR1KISS1RIL23RCTSLCTSS
SCHEMBL17642339 0.85 CTSL (0.57) CXCL8KISS1RIL23RCTSLCTSS
SCHEMBL31105508 0.85 IL23R (0.67) C5AR1IL23RMC4RMC5RMC3R

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-20100267639-A1 TREATMENT OF OSTEOARTHRITIS PROMICS PTY LIMITED (AU) 2010-10-21 — — 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-20100267639-A1 TREATMENT OF OSTEOARTHRITIS C5AR2, C5AR1, C3AR1 C5AR1 2/4885CXCL8 611/4885KISS1R 1764/4885

“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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