SCHEMBL11991535

SCHEMBL11991535

COCC(COC)Nc1ccc(Oc2ncc(I)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CFTR P13569 2/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK10 P53779 6/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SCN9A Q15858 4/20 0.32
▸ MAPK8 P45983 3/20 0.32
▸ EGFR P00533 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SCN10A Q9Y5Y9 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
SCHEMBL11992594 0.92 KMT2A (0.35) KMT2AATMCFTRLMNAKDM4E
SCHEMBL11991519 0.87 KMT2A (0.35) KMT2AATMCFTRLMNAKDM4E
SCHEMBL11991469 0.85 SCN9A (0.43) SCN9A
SCHEMBL11991524 0.84 KMT2A (0.34) KMT2AATMCFTRLMNAKDM4E
SCHEMBL11991641 0.82 KMT2A (0.33) KMT2AATMCFTRLMNAKDM4E
SCHEMBL11991506 0.78 ALDH1A1 (0.35) KMT2ASCN9AALDH1A1
SCHEMBL11922620 0.77 KMT2A (0.36) KMT2AATMCFTRLMNAKDM4E
SCHEMBL12946090 0.77 DRD1 (0.34) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL11922579 0.77 TDP1 (0.48) KMT2AATMCFTRLMNAMAPT
SCHEMBL11992930 0.77 SCN9A (0.45) SCN9A

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 11 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-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-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-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-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
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 KMT2A 1862/4885ATM 4155/4885CFTR 1031/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H KMT2A 1862/4885ATM 4155/4885CFTR 1031/4885

“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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