SCHEMBL11992594

SCHEMBL11992594

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HCAR3 P49019 2/20 0.34
▸ CFTR P13569 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK10 P53779 5/20 0.33
▸ MAPT P10636 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ EGFR P00533 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
SCHEMBL11991519 0.92 KMT2A (0.35) KMT2AATMCFTRLMNAKDM4E
SCHEMBL11991535 0.92 KMT2A (0.35) KMT2AATMCFTRLMNAKDM4E
SCHEMBL12946090 0.86 DRD1 (0.34) HCAR3LMNA
SCHEMBL11992930 0.85 SCN9A (0.45) SCN9AFPR2
SCHEMBL11992926 0.84 KMT2A (0.34) KMT2AATMHCAR3CFTRLMNA
SCHEMBL11992587 0.83 KMT2A (0.33) KMT2AATMHCAR3CFTRLMNA
SCHEMBL11922620 0.79 KMT2A (0.36) KMT2AATMCFTRLMNAKDM4E
SCHEMBL11992979 0.77 DHODH (0.35) HCAR3LMNAKDM4EMAPK10AAK1
SCHEMBL11991522 0.77 ABL1 (0.33) KMT2AATMSCN9A
SCHEMBL11991464 0.77 SCN9A (0.45) SCN9AFPR2

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
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 (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-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H KMT2A 1862/4885ATM 4155/4885HCAR3 3328/4885

“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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