SCHEMBL4300412

SCHEMBL4300412

CC(=O)C(=O)Oc1ccc(NCCc2ccc(C(F)(F)F)cc2)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ PPARA Q07869 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RORC P51449 2/20 0.42
▸ CFD P00746 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ BCL2A1 Q16548 1/20 0.40
▸ PLAAT3 P53816 1/20 0.39
▸ PLAAT5 Q96KN8 1/20 0.39
▸ PLAAT2 Q9NWW9 1/20 0.39
▸ PLAAT4 Q9UL19 1/20 0.39

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
Hydrochloric Acid SCHEMBL4304761 0.99 AKR1C3 (0.42) AKR1C3AKR1C2FFAR1PPARAKDM4E
SCHEMBL609392 0.91 KDM4E (0.53) AKR1C3AKR1C2FFAR1PPARAKDM4E
Hydrochloric Acid SCHEMBL4310601 0.84 FFAR1 (0.45) AKR1C3AKR1C2FFAR1PPARAKDM4E
SCHEMBL11937520 0.81 KDM4E (0.43) FFAR1PPARAKDM4EPPARDUSP2
SCHEMBL14346892 0.80 FFAR1 (0.49) AKR1C3AKR1C2FFAR1PPARAKDM4E
SCHEMBL608498 0.79 KDM4C (0.53) FFAR1PPARAKDM4EALDH1A1RORC
SCHEMBL11929758 0.78 CFD (0.56) AKR1C3AKR1C2FFAR1KDM4EALDH1A1
SCHEMBL4116154 0.78 KDM4C (0.52) FFAR1PPARAKDM4EALDH1A1RORC
SCHEMBL4299252 0.75 KDM4C (0.37) AKR1C3AKR1C2FFAR1PPARAKDM4E
Sulfuric Acid SCHEMBL1170031 0.75 PPARA (0.49) FFAR1PPARAKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 — — US claimed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 — — WO claimed
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 — — US disclosed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 — — 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 (1 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-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same PC, PDK1, PDK2 AKR1C3 367/4885AKR1C2 281/4885FFAR1 1114/4885

“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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