SCHEMBL10168331

SCHEMBL10168331

CC[C@H](C)C(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ F2 P00734 2/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.52
▸ PTH1R Q03431 2/20 0.50
▸ KRAS P01116 7/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ HRAS P01112 1/20 0.49
▸ SOS1 Q07889 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
SCHEMBL10168617 0.97 TFPI (0.53) TFPIF2RXFP1PTH1RKRAS
SCHEMBL16299147 0.91 RXFP1 (0.56) TFPIF2RXFP1PTH1RKRAS
SCHEMBL10169113 0.88 RXFP1 (0.59) TFPIRXFP1KRAS
SCHEMBL10168283 0.88 RXFP1 (0.59) TFPIRXFP1KRAS
SCHEMBL10168809 0.88 RXFP1 (0.59) TFPIRXFP1KRAS
SCHEMBL15470451 0.86 TFPI (0.62) TFPIKRASHRASSOS1
SCHEMBL10168790 0.86 RXFP1 (0.57) TFPIRXFP1PTH1RKRASKEAP1
SCHEMBL10168791 0.86 RXFP1 (0.57) TFPIRXFP1PTH1RKRASKEAP1
SCHEMBL10168608 0.86 RXFP1 (0.57) TFPIRXFP1PTH1RKRASKEAP1
SCHEMBL10168624 0.86 RXFP1 (0.57) TFPIRXFP1PTH1RKRASKEAP1

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-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — 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-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 TFPI 2851/4885F2 4437/4885RXFP1 827/4885

“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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