SCHEMBL13044726

SCHEMBL13044726

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ ABCC1 P33527 2/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ HTR2A P28223 3/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ HTR2B P41595 3/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ WDR5 P61964 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL13044749 0.90 F3 (0.37) AAK1ACACBF3NTRK1
SCHEMBL13044827 0.89 VNN1 (0.33) F3KDM4E
SCHEMBL13044822 0.88 SMN1; SMN2 (0.32) HCRTR1HCRTR2CYP1A2
SCHEMBL13044824 0.88 SMN1; SMN2 (0.33) CYP1A2
SCHEMBL13044762 0.88 UBE2M (0.34) F3ALDH1A1
SCHEMBL13044720 0.88 P2RY1 (0.35) F3
SCHEMBL13044708 0.84 SCN9A (0.33) F3
SCHEMBL13044815 0.83 SCN9A (0.33) —
SCHEMBL13044741 0.83 MDM2 (0.32) —
SCHEMBL13044777 0.83 SCN9A (0.33) —

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 BRAF 2498/4885KDR 2633/4885ABCB1 793/4885

“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.

Send feedback