SCHEMBL13697496

SCHEMBL13697496

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.56
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ C5AR1 P21730 2/20 0.53
▸ DPP3 Q9NY33 5/20 0.53
▸ CXCL8 P10145 5/20 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
▸ CAPN1 P07384 1/20 0.50
▸ CTSB P07858 1/20 0.50

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
SCHEMBL13697492 0.88 CALCRL (0.56) —
SCHEMBL31516395 0.88 CXCR4 (0.57) CXCR4NTSR2NTSR1SORT1DPP3
SCHEMBL30435876 0.86 NPY1R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30608427 0.85 NTSR2 (0.57) NTSR2NTSR1SORT1C5AR1DPP3
SCHEMBL31499421 0.85 DPP3 (0.60) NTSR2NTSR1SORT1DPP3CXCL8
SCHEMBL30495674 0.85 NPY1R (0.60) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30386453 0.85 CXCL8 (0.56) C5AR1DPP3CXCL8
SCHEMBL31422677 0.84 CXCL8 (0.55) CXCR4CXCL8CAPN1CTSB
SCHEMBL29756048 0.84 C5AR1 (0.63) CXCR4NTSR2NTSR1SORT1C5AR1
SCHEMBL30893565 0.84 CXCR4 (0.63) CXCR4NTSR2NTSR1SORT1CXCL8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 — — US disclosed
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 — — US disclosed
US-20130123140-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2013-05-16 — — US disclosed
US-20130123140-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2013-05-16 — — US disclosed
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response 2CUREX (DK) 2009-09-24 — — US disclosed
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response 2CUREX (DK) 2009-09-24 — — 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-20090239755-A1 Identification of Compounds Modifying A Cellular Response MCL1, PMAIP1, CDC37 CXCR4 3406/4885NTSR2 4338/4885NTSR1 4057/4885

“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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