SCHEMBL11992979

SCHEMBL11992979

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.35
▸ HCAR3 P49019 2/20 0.35
▸ RBP4 P02753 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ RIOX2 Q8IUF8 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ KCNK2 O95069 1/20 0.33
▸ F10 P00742 2/20 0.33
▸ F7 P08709 2/20 0.33
▸ F3 P13726 2/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 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
SCHEMBL11992926 0.94 KMT2A (0.34) HCAR3KDM4EAAK1LMNAFPR2
SCHEMBL11991470 0.93 DHODH (0.34) DHODHRBP4CYP3A4CYP2C9CYP2C19
SCHEMBL11991472 0.88 KMT2A (0.34) KDM4EAAK1LMNAFPR2SCN9A
SCHEMBL11991524 0.86 KMT2A (0.34) KDM4EAAK1LMNAFPR2SCN9A
SCHEMBL11992587 0.86 KMT2A (0.33) HCAR3KDM4EAAK1LMNAFPR2
SCHEMBL11922604 0.85 KMT2A (0.35) KDM4EAAK1LMNAFPR2SCN9A
SCHEMBL11991551 0.82 SCN9A (0.33) AAK1SCN9A
SCHEMBL11991556 0.82 AAK1 (0.32) HCAR3CYP3A4AAK1
SCHEMBL11991478 0.81 PTK2 (0.32) SCN9A
SCHEMBL11991447 0.80 FGFR4 (0.37) LMNASCN9AALDH1A1HPGD

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 6 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
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — WO 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 1985/4885HCAR3 3328/4885RBP4 3214/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H DHODH 1985/4885HCAR3 3328/4885RBP4 3214/4885

“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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