SCHEMBL12804431

SCHEMBL12804431

COc1cccc(NC(=S)C(F)(F)F)c1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ MLYCD O95822 1/20 0.42
▸ GAA P10253 4/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALPL P05186 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL12804315 0.82 PDK1 (0.54) HPGDALDH1A1HTTMLYCDGAA
SCHEMBL12871700 0.74 KMT2A (0.50) HPGDALDH1A1HTTGAAKDM4E
SCHEMBL12803976 0.74 GAA (0.48) HPGDALDH1A1HTTGAALMNA
SCHEMBL10046356 0.74 KDM4E (0.57) HPGDALDH1A1GAAPDK1PDK2
SCHEMBL28809274 0.73 ALDH1A1 (0.42) HPGDALDH1A1HTTGAAPDK1
SCHEMBL8794977 0.73 CA12 (0.44) HPGDALDH1A1HTTGAAKDM4E
SCHEMBL10046009 0.71 ALDH1A1 (0.44) HPGDALDH1A1HTTGAAKDM4E
SCHEMBL13074497 0.71 APP (0.43) HPGDALDH1A1HTTGAAKDM4E
SCHEMBL31389658 0.70 L3MBTL1 (0.47) HPGDALDH1A1HTTGAAKDM4E
Hydrochloric Acid SCHEMBL8683952 0.68 ALDH1A1 (0.42) HPGDALDH1A1GAAKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 — — EP disclosed
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 — — EP disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-8697673-B2 Bicyclic pyridinones PFIZER INC. (US) 2014-04-15 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
WO-2012131539-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2012-10-04 — — WO disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — US disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — US disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — 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-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 HPGD 179/4885ALDH1A1 268/4885HTT 4186/4885
US-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 HPGD 179/4885ALDH1A1 268/4885HTT 4186/4885

“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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