SCHEMBL11991470

SCHEMBL11991470

CC[C@H](C)Nc1ccc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ASPH Q12797 2/20 0.34
▸ RIOX2 Q8IUF8 2/20 0.34
▸ KDM8 Q8N371 2/20 0.34
▸ FPR2 P25090 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ F10 P00742 3/20 0.33
▸ F7 P08709 3/20 0.33
▸ F3 P13726 3/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32

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
SCHEMBL11991472 0.93 KMT2A (0.34) KDM4EFPR2SCN9AIRAK4P2RX3
SCHEMBL11992979 0.93 DHODH (0.35) DHODHKDM4EASPHRIOX2KDM8
SCHEMBL11992926 0.86 KMT2A (0.34) KDM4EFPR2SCN9AP2RX3AAK1
SCHEMBL11922604 0.85 KMT2A (0.35) KDM4EFPR2SCN9AP2RX3AAK1
SCHEMBL11991475 0.85 KMT2A (0.33) KDM4EFPR2SCN9AF10F7
SCHEMBL11991524 0.82 KMT2A (0.34) KDM4EFPR2SCN9AP2RX3AAK1
SCHEMBL11922630 0.79 SCN9A (0.33) DHODHKDM4EASPHRIOX2KDM8
SCHEMBL12763918 0.78 KDM4E (0.41) DHODHKDM4EASPHRIOX2KDM8
SCHEMBL11992587 0.78 KMT2A (0.33) KDM4EFPR2SCN9AP2RX3AAK1
SCHEMBL11922603 0.78 CFTR (0.46) KDM4ECYP3A4CYP2C19AAK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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 (2 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-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H DHODH 1985/4885KDM4E 3210/4885ASPH 2792/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H DHODH 1985/4885KDM4E 3210/4885ASPH 2792/4885

“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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