SCHEMBL13044827

SCHEMBL13044827

CC(C)N(c1cc(F)c(Oc2ncc(C(=O)c3cccnc3)cc2C(F)(F)F)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ F3 P13726 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL13044726 0.89 BRAF (0.35) F3KDM4E
SCHEMBL13044822 0.88 SMN1; SMN2 (0.32) —
SCHEMBL13044762 0.87 UBE2M (0.34) VNN1F3F2SCN9A
SCHEMBL13044824 0.87 SMN1; SMN2 (0.33) —
SCHEMBL13044720 0.87 P2RY1 (0.35) F3SCN9A
SCHEMBL13946761 0.86 CFTR (0.34) VNN1TAS1R3TAS1R1TAS1R2PIK3CD
SCHEMBL13044820 0.86 CFTR (0.34) VNN1TAS1R3TAS1R1TAS1R2PIK3CD
SCHEMBL13044749 0.85 F3 (0.37) F3F2SCN9A
SCHEMBL13044708 0.83 SCN9A (0.33) F3F2SCN9A
SCHEMBL13044815 0.83 SCN9A (0.33) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B VNN1 2173/4885TAS1R3 2682/4885TAS1R1 2029/4885

“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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