Sugi Predict

Sugi Predict / Compounds / SCHEMBL3155014

SCHEMBL3155014

SCHEMBL3155014

Nc1c(Cl)cc(OC(F)(F)F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ WDR5 P61964 2/20 0.44
▸ DHODH Q02127 2/20 0.40
▸ KCNK2 O95069 1/20 0.40
▸ KCNK10 P57789 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ IGF2BP2 Q9Y6M1 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ PTGS1 P23219 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ AURKA O14965 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ EIF4E P06730 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FFAR1 O14842 1/20 0.36

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
SCHEMBL16528820 0.84 GAA (0.44) AKR1C2AKR1C1WDR5GAAKDM4E
SCHEMBL16529505 0.81 WDR5 (0.42) AKR1C2AKR1C1WDR5DHODHKCNK2
SCHEMBL7105536 0.81 KDM4E (0.54) AKR1C2AKR1C1WDR5DHODHKCNK2
SCHEMBL342267 0.80 ALDH1A1 (0.44) AKR1C2AKR1C1PIM1MRGPRX4GAA
SCHEMBL21603493 0.79 AKR1C2 (0.33) AKR1C2AKR1C1WDR5GAAKDM4E
SCHEMBL29091654 0.78 SMN1; SMN2 (0.44) AKR1C2GAAKDM4EALDH1A1PTGS1
SCHEMBL28506573 0.77 AKR1C2 (0.43) AKR1C2AKR1C1WDR5DHODHPIM1
SCHEMBL8493525 0.77 AKR1C2 (0.58) AKR1C2AKR1C1DHODHKCNK2KCNK10
SCHEMBL31446390 0.77 AKR1C2 (0.58) AKR1C2AKR1C1DHODHKCNK2KCNK10
SCHEMBL28669581 0.75 AKR1C2 (0.40) AKR1C2AKR1C1WDR5DHODHKCNK2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 — — EP disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 — — EP disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
US-20080090800-A1 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2008-04-17 — — US disclosed
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-09-20 — — US disclosed
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-08-30 — — US disclosed
US-7129233-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-10-31 — — US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 — — US disclosed
EP-1513807-A1 PHARMACEUTICAL COMBINATION AstraZeneca AB (SE) 2005-03-16 — — EP disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 — — US disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 — — WO disclosed
EP-1347955-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS AstraZeneca AB (SE) 2003-10-01 — — EP disclosed
WO-2002044145-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2002-06-06 — — 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 (7 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-20080090800-A1 Mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 AKR1C2 2005/4885AKR1C1 1461/4885WDR5 4388/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 AKR1C2 2853/4885AKR1C1 2054/4885WDR5 1977/4885
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 AKR1C2 1694/4885AKR1C1 1603/4885WDR5 4263/4885
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 AKR1C2 2266/4885AKR1C1 1713/4885WDR5 4390/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 AKR1C2 1694/4885AKR1C1 1603/4885WDR5 4263/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 AKR1C2 3636/4885AKR1C1 3105/4885WDR5 131/4885
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 AKR1C2 2266/4885AKR1C1 1713/4885WDR5 4390/4885

“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.