SCHEMBL3603249

SCHEMBL3603249

CCOC(=O)C(CC=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP8 P22894 1/20 0.37
GLO1 Q04760 1/20 0.36
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9040524 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL12055823 0.84 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL3607061 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL7694807 0.82 LMNA (0.39) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL27139213 0.82 SOAT1 (0.38) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL10870370 0.80 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL10870379 0.80 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL10870498 0.80 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10MMP8GLO1
SCHEMBL3293924 0.79 GRIK1 (0.30) ALDH1A1TDP1
Acetic Acid SCHEMBL28822001 0.79 MMP8 (0.37) ALDH1A1LMNAHSD17B10MMP8GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
EP-3124489-B1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2020-07-15 EP disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 US disclosed
EP-3303318-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2018-04-11 EP disclosed
CN-107873031-A Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2018-04-03 CN disclosed
WO-2016198400-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2016-12-15 WO disclosed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 WO disclosed
US-5194143-A Method for inhibiting fouling in caustic scrubber systems BETZ LABORATORIES, INC. (US) 1993-03-16 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 (3 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A ALDH1A1 557/4885LMNA 2073/4885HSD17B10 1111/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA ALDH1A1 244/4885LMNA 1964/4885HSD17B10 2471/4885
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 ALDH1A1 558/4885LMNA 3091/4885HSD17B10 1287/4885

“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.