SCHEMBL344980

SCHEMBL344980

COC(=O)c1cccc2cc(OS(=O)(=O)C(F)(F)F)cnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.43
PARP1 P09874 5/20 0.42
SLC40A1 Q9NP59 2/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SDHB P21912 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL28892424 0.82 PARP1 (0.55) PSMD14PARP1ALDH1A1SLC6A2SLC6A4
SCHEMBL272962 0.79 PDE4B (0.51) ALDH1A1SDHBSLC6A2SLC6A4SLC6A3
SCHEMBL21837070 0.78 SCN9A (0.43) SLC40A1ALDH1A1SDHBPDE4APDE4C
SCHEMBL2114719 0.77 MTNR1A (0.50) SDHBSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL6420958 0.75 PARP1 (0.68) PSMD14PARP1SLC40A1ALDH1A1KDM4E
SCHEMBL343891 0.75 PSMD14 (0.51) PSMD14PARP1ALDH1A1SLC6A2SLC6A4
SCHEMBL31150577 0.75 KDM4E (0.48) ALDH1A1SDHBSLC6A2SLC6A4SLC6A3
SCHEMBL852699 0.75 KDM4E (0.48) ALDH1A1SDHBSLC6A2SLC6A4SLC6A3
SCHEMBL9125289 0.74 PSMD14 (0.50) PSMD14PARP1ALDH1A1SLC6A3KDM4E
SCHEMBL7214605 0.73 KDM4E (0.49) ALDH1A1SDHBSLC6A3KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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 (3 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PSMD14 3881/4885PARP1 1380/4885SLC40A1 3526/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PSMD14 3881/4885PARP1 1380/4885SLC40A1 3526/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PSMD14 3881/4885PARP1 1380/4885SLC40A1 3526/4885

“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.