SCHEMBL22145494

SCHEMBL22145494

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.89
FKBP1B P68106 4/20 0.89
PPIA P62937 5/20 0.83
PPP3CA Q08209 2/20 0.83
MEN1 O00255 1/20 0.83
NPC1 O15118 1/20 0.83
ABCC3 O15438 1/20 0.83
GMNN O75496 1/20 0.83
USP2 O75604 1/20 0.83
SLCO2B1 O94956 1/20 0.83
ABCB11 O95342 1/20 0.83
LMNA P02545 1/20 0.83
POLB P06746 1/20 0.83
CYP3A4 P08684 1/20 0.83
MAPT P10636 1/20 0.83
RARB P10826 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP3A5 P20815 1/20 0.83
TACR2 P21452 1/20 0.83
PPIB P23284 1/20 0.83

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
SCHEMBL17921838 1.00 ABCB1 (0.89) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL22145472 0.98 ABCB1 (0.93) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL17921916 0.98 ABCB1 (0.93) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL17921879 0.97 FKBP1B (0.90) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL17921936 0.95 FKBP1B (0.95) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL17921841 0.95 ABCB1 (0.81) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL22840783 0.95 ABCB1 (0.81) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL17921995 0.95 ABCB1 (0.82) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL17921917 0.95 ABCB1 (0.86) ABCB1FKBP1BPPIAPPP3CAMEN1
SCHEMBL22145531 0.95 ABCB1 (0.86) ABCB1FKBP1BPPIAPPP3CAMEN1

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-20200199102-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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-20200199102-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF PIN1, FKBP14, FKBP2 ABCB1 1670/4885FKBP1B 11/4885PPIA 8/4885

“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.