Sugi Predict

Sugi Predict / Compounds / SCHEMBL718460

SCHEMBL718460

SCHEMBL718460

CC(=O)c1cc(F)ccc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.68
▸ PKM P14618 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CYSLTR1 Q9Y271 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ PPARD Q03181 1/20 0.43

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
SCHEMBL4138843 0.87 PKM (0.71) PTGDR2PKMSMN1; SMN2HTTCYSLTR1
SCHEMBL11274293 0.84 ALDH1A1 (0.55) PTGDR2PKMSMN1; SMN2ALDH1A1HTT
SCHEMBL22176183 0.84 PKM (0.59) PTGDR2PKMSMN1; SMN2ALDH1A1HTT
SCHEMBL3165420 0.83 CYP3A4 (0.61) PTGDR2SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL30628345 0.83 CYP3A4 (0.61) PTGDR2SMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL29951797 0.82 PTGDR2 (0.69) PTGDR2SMN1; SMN2HTTL3MBTL1TDP1
SCHEMBL30845530 0.82 ALDH1A1 (0.56) PTGDR2PKMSMN1; SMN2ALDH1A1HTT
SCHEMBL22695259 0.82 ALDH1A1 (0.56) PTGDR2PKMSMN1; SMN2ALDH1A1HTT
SCHEMBL13603947 0.82 ALDH1A1 (0.53) PTGDR2PKMSMN1; SMN2ALDH1A1HTT
SCHEMBL18045699 0.81 PKM (0.72) PTGDR2PKMSMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 — — CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 — — EP disclosed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 — — US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 — — US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 — — US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 — — EP disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 — — EP disclosed
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS MYLARI BANAVARA L (US) 2005-01-06 — — US disclosed
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 — — EP disclosed
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 PFIZER INC 2004-10-07 — — US disclosed
EP-1392310-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS Pfizer Products Inc. (US) 2004-03-03 — — EP disclosed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 — — EP disclosed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 — — US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 — — US disclosed
WO-2002087584-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 — — WO disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 — — WO disclosed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 — — 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PTGDR2 1217/4885PKM 2662/4885SMN1; SMN2 1051/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 PTGDR2 2522/4885PKM 608/4885SMN1; SMN2 1743/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 PTGDR2 2520/4885PKM 689/4885SMN1; SMN2 1426/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 PTGDR2 66/4885PKM 498/4885SMN1; SMN2 2336/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PTGDR2 1217/4885PKM 2662/4885SMN1; SMN2 1051/4885
US-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 PTGDR2 203/4885PKM 2576/4885SMN1; SMN2 1787/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 PTGDR2 54/4885PKM 512/4885SMN1; SMN2 2225/4885

“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.