SCHEMBL7941395

SCHEMBL7941395

CN1C(=O)NC(=O)C1(C)c1ccc(O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 2/20 0.35
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
ALPG P10696 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AR P10275 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL7945812 0.77 AKR1B1 (0.33) AKR1B1
SCHEMBL10263653 0.71 PTGER3 (0.41) AKR1B1MMP2MMP9LMNAMEN1
SCHEMBL1922521 0.64 ESR1 (0.35) ESR1ESR2
SCHEMBL29820150 0.64 ESR1 (0.38) ESR1ESR2LMNANR1H2NR1H3
SCHEMBL24666355 0.64 ESR1 (0.38) ESR1ESR2LMNANR1H2NR1H3
SCHEMBL15974943 0.62 KMT2A (0.48) AKR1B1KMT2A
SCHEMBL9559268 0.61 PDK2 (0.55) MMP2MMP9
SCHEMBL13017229 0.61 APP (0.39) ESR1ESR2LMNA
SCHEMBL14188959 0.60 MMP2 (0.38) MMP2MMP9MAPTNPSR1LMNA
SCHEMBL1951671 0.59 ESR1 (0.40) ESR1ESR2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 AKR1B1 660/4885ESR1 2907/4885ESR2 1754/4885

“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.