SCHEMBL24120770

SCHEMBL24120770

CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCC(=O)O)C(=O)N1CCCC1C(=O)N1CCCC1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.55
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ CTNNB1 P35222 3/20 0.53
▸ CXCL8 P10145 6/20 0.53
▸ ACE P12821 1/20 0.53
▸ TACR1 P25103 1/20 0.51
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50
▸ C5AR1 P21730 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49

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
SCHEMBL11872446 0.90 CASP1 (0.51) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL11872436 0.90 CASP1 (0.51) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL11872216 0.89 GNRHR (0.50) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089699 0.89 CXCR4 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089689 0.89 CXCR4 (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31208374 0.87 C5AR1 (0.58) CXCR4CTNNB1TACR1C5AR1KEAP1
SCHEMBL11867492 0.87 GNRHR (0.51) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL11863142 0.87 IL23R (0.51) CXCR4CTSLCTSSCTSKCTSH
Teprotide SCHEMBL613590 0.87 F13A1 (0.52) CXCR4CTSLCTSSCTSKCTSH
Teprotide SCHEMBL11855843 0.87 F13A1 (0.52) CXCR4CTSLCTSSCTSKCTSH

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-20210395309-A1 PEPTIDE-DRUG CONJUGATES HONG KONG BAPTIST UNIVERSITY (CN) 2021-12-23 — — 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-20210395309-A1 PEPTIDE-DRUG CONJUGATES BDKRB1, VIP, BDKRB2 CXCR4 255/4885CTSL 254/4885CTSS 1652/4885

“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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