SCHEMBL13145228

SCHEMBL13145228

CN[C@H](CC1CCCCC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NCCC[C@H](NC(=O)CNC(C)=O)C(=O)N1CCCC1C=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ CTSH P09668 1/20 0.50
▸ IL23R Q5VWK5 2/20 0.48
▸ CXCR4 P61073 7/20 0.47
▸ MC4R P32245 4/20 0.46
▸ MC5R P33032 2/20 0.46
▸ MC3R P41968 2/20 0.46
▸ MC1R Q01726 2/20 0.46
▸ NPBWR1 P48145 2/20 0.44

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
SCHEMBL13144378 0.93 IL23R (0.53) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL13478176 0.92 IL23R (0.47) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL13144533 0.91 C5AR1 (0.53) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL13478184 0.90 C5AR1 (0.48) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL13144366 0.89 C5AR1 (0.51) CTSLCTSSCTSKC5AR1IL23R
SCHEMBL13144373 0.88 CXCL8 (0.49) C5AR1IL23R
SCHEMBL13144545 0.87 MC4R (0.55) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13478177 0.87 MC4R (0.55) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144882 0.85 IL23R (0.51) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL13144540 0.85 MC4R (0.53) IL23RMC4RMC5RMC3RMC1R

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 2 patents. 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
US-7659246-B2 Treatment of osteoarthritis PROMICS PTY LIMITED (AU) 2010-02-09 — — 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 CTSL 488/4885CTSS 671/4885CTSK 603/4885

“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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