Sugi Predict

Sugi Predict / Compounds / SCHEMBL19212449

SCHEMBL19212449

SCHEMBL19212449

O=C1CCCc2oc3cc(C(F)(F)F)ccc3c(=O)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 1.00
▸ PIM3 Q86V86 1/20 1.00
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ HPD P32754 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KIF11 P52732 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34

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
SCHEMBL28798847 0.79 PIM1 (0.65) PIM1PIM3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28798820 0.79 PIM1 (0.65) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL28798875 0.76 PIM1 (0.61) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL28798868 0.76 PIM1 (0.61) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL14334925 0.75 PIM1 (0.59) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL28798906 0.74 PIM1 (0.59) PIM1PIM3ALDH1A1KDM4ESMN1; SMN2
Nitisinone SCHEMBL16876645 0.72 HPD (0.65) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL31217615 0.70 PIM1 (0.54) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL28798870 0.70 PIM1 (0.54) PIM1PIM3ALDH1A1KDM4EHPGD
SCHEMBL28798900 0.70 PIM1 (0.54) PIM1PIM3ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108495623-B Stable solid pharmaceutical formulations containing 2- (2-nitro-4-trifluoromethyl-benzoyl) -1, 3-cyclohexanedione 迪法玛公司 2021-04-20 — — CN claimed
US-10888527-B2 Stable solid pharmaceutical formulations containing 2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cylcohexanedione DIPHARMA S.A. (CH) 2021-01-12 — — US claimed
US-20190160014-A1 Stable Solid Pharmaceutical Formulations Containing 2-(2-Nitro-4-Trifluoromethylbenzoyl)-1,3-Cylcohexanedione DIPHARMA S.A. (CH) 2019-05-30 — — US claimed
US-9783485-B1 Crystalline inhibitor of 4-hydroxyphenylpyruvate dioxygenase, and a process of synthesis and crystallization thereof DIPHARMA S.A. (CH) 2017-10-10 — — US claimed
CN-108495623-B Stable solid pharmaceutical formulations containing 2- (2-nitro-4-trifluoromethyl-benzoyl) -1, 3-cyclohexanedione 迪法玛公司 2021-04-20 — — CN disclosed
US-10888527-B2 Stable solid pharmaceutical formulations containing 2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cylcohexanedione DIPHARMA S.A. (CH) 2021-01-12 — — US disclosed
EP-3413876-B1 STABLE SOLID PHARMACEUTICAL FORMULATIONS CONTAINING 2-(2-NITRO-4-TRIFLUOROMETHYLBENZOYL)-1,3-CYCLOHEXANEDIONE DIPHARMA S A (CH) 2019-09-18 — — EP disclosed
US-20190160014-A1 Stable Solid Pharmaceutical Formulations Containing 2-(2-Nitro-4-Trifluoromethylbenzoyl)-1,3-Cylcohexanedione DIPHARMA S.A. (CH) 2019-05-30 — — US disclosed
EP-3413876-A1 STABLE SOLID PHARMACEUTICAL FORMULATIONS CONTAINING 2-(2-NITRO-4-TRIFLUOROMETHYLBENZOYL)-1,3-CYCLOHEXANEDIONE Dipharma S.A. (CH) 2018-12-19 — — EP disclosed
US-10093610-B2 Crystalline inhibitor of 4-hydroxyphenylpyruvate dioxygenase DIPHARMA S.A. (CH) 2018-10-09 — — US disclosed
US-20180148402-A1 Crystalline Inhibitor of 4-Hydroxyphenylpyruvate Dioxygenase DIPHARMA S.A. (CH) 2018-05-31 — — US disclosed
US-20180148402-A1 Crystalline Inhibitor of 4-Hydroxyphenylpyruvate Dioxygenase DIPHARMA S.A. (CH) 2018-05-31 — — US disclosed
US-20180148402-A1 Crystalline Inhibitor of 4-Hydroxyphenylpyruvate Dioxygenase DIPHARMA S.A. (CH) 2018-05-31 — — US disclosed
US-9783485-B1 Crystalline inhibitor of 4-hydroxyphenylpyruvate dioxygenase, and a process of synthesis and crystallization thereof DIPHARMA S.A. (CH) 2017-10-10 — — US disclosed
US-9783485-B1 Crystalline inhibitor of 4-hydroxyphenylpyruvate dioxygenase, and a process of synthesis and crystallization thereof DIPHARMA S.A. (CH) 2017-10-10 — — US disclosed
US-9783485-B1 Crystalline inhibitor of 4-hydroxyphenylpyruvate dioxygenase, and a process of synthesis and crystallization thereof DIPHARMA S.A. (CH) 2017-10-10 — — US disclosed
WO-2017137468-A1 STABLE SOLID PHARMACEUTICAL FORMULATIONS CONTAINING 2-(2-NITRO-4-TRIFLUOROMETHYLBENZOYL)-1,3-CYCLOHEXANEDIONE DIPHARMA S.A. (CH) 2017-08-17 — — 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 (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-10093610-B2 Crystalline inhibitor of 4-hydroxyphenylpyruvate dioxygenase HPD, TALDO1, NTPCR PIM1 3448/4885PIM3 3435/4885ALDH1A1 1195/4885
US-20180148402-A1 Crystalline Inhibitor of 4-Hydroxyphenylpyruvate Dioxygenase HPD, TALDO1, NTPCR PIM1 3448/4885PIM3 3435/4885ALDH1A1 1195/4885

“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.