SCHEMBL13044720

SCHEMBL13044720

CC(C)N(c1cc(F)c(Oc2ncccc2C(F)(F)F)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 2/20 0.35
▸ RBP4 P02753 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ SSTR4 P31391 10/20 0.34
▸ SSTR1 P30872 5/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ FPR2 P25090 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ ROCK2 O75116 1/20 0.33

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
SCHEMBL12911226 0.90 RBP4 (0.36) P2RY1RBP4TTRSSTR4SSTR1
SCHEMBL13815441 0.88 P2RY1 (0.36) P2RY1RBP4TTRSSTR4SSTR1
SCHEMBL13044726 0.88 BRAF (0.35) F3
SCHEMBL13044749 0.88 F3 (0.37) P2RY1SCN9AF3
SCHEMBL13044901 0.87 MGLL (0.39) MGLLFPR2SCN9AF3
SCHEMBL13044827 0.87 VNN1 (0.33) SCN9AF3
SCHEMBL13044822 0.86 SMN1; SMN2 (0.32) SLC6A2SLC6A4
SCHEMBL11992982 0.86 P2RY1 (0.35) P2RY1RBP4TTRSSTR4SSTR1
SCHEMBL13044762 0.86 UBE2M (0.34) SCN9AF3
SCHEMBL13044824 0.86 SMN1; SMN2 (0.33) SLC6A2SLC6A4

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 P2RY1 1931/4885RBP4 2605/4885TTR 1554/4885

“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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