SCHEMBL6372847

SCHEMBL6372847

CC(=O)NC[C@H]1COC(=O)N1c1ccc(-c2ccc(CNC(=O)[C@H](N)Cc3c[nH]c4ccccc34)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 5/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ RUVBL1 Q9Y265 4/20 0.39
▸ KRAS P01116 1/20 0.39
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL1393207 0.86 MAOA (0.49) —
SCHEMBL1393206 0.83 SOS1 (0.41) SOS1OPRM1OPRK1RUVBL1KRAS
SCHEMBL1394413 0.76 MAOA (0.48) —
SCHEMBL1394410 0.76 MAOA (0.48) —
SCHEMBL1393444 0.75 MAOA (0.53) —
SCHEMBL3087603 0.74 CCKBR (0.50) MAPT
SCHEMBL11983300 0.73 MAOA (0.51) MAPT
SCHEMBL4811525 0.73 MAOA (0.50) —
SCHEMBL1394408 0.72 MC5R (0.42) OPRM1OPRK1
SCHEMBL3087601 0.72 CTSL (0.51) MAPT

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-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-09-15 — — 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-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF SOS1 2589/4885OPRM1 1815/4885OPRK1 818/4885

“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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